[2-[[(1R,3aS,5aR,5bR,9S,11aR)-3a-[2-[2-[dimethyl-(phenylmethyl)azaniumyl]ethyl-dimethyl-azaniumyl]ethanoyloxymethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2-oxidanylidene-ethyl]-[2-[dimethyl-(phenylmethyl)azaniumyl]ethyl]-dimethyl-azanium

Systemtic Name: [2-[[(1R,3aS,5aR,5bR,9S,11aR)-3a-[2-[2-[dimethyl-(phenylmethyl)azaniumyl]ethyl-dimethyl-azaniumyl]ethanoyloxymethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2-oxidanylidene-ethyl]-[2-[dimethyl-(phenylmethyl)azaniumyl]ethyl]-dimethyl-azanium Openeye Name: [2-[[(1R,3aS,5aR,5bR,9S,11aR)-3a-[[2-[2-[benzyl(dimethyl)ammonio]ethyl-dimethyl-ammonio]acetyl]oxymethyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2-oxo-ethyl]-[2-[benzyl(dimethyl)ammonio]ethyl]-dimethyl-ammonium CAS Name: [2-[[(1R,3aS,5aR,5bR,9S,11aR)-3a-[[2-[2-[dimethyl-(phenylmethyl)ammonio]ethyl-dimethylammonio]-1-oxoethoxy]methyl]-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2-oxoethyl]-[2-[dimethyl-(phenylmethyl)ammonio]ethyl]-dimethylammonium IUPAC Name: [2-[[(1R,3aS,5aR,5bR,9S,11aR)-3a-[[2-[2-[benzyl(dimethyl)azaniumyl]ethyl-dimethylazaniumyl]acetyl]oxymethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2-oxoethyl]-[2-[benzyl(dimethyl)azaniumyl]ethyl]-dimethylazanium Traditional Name: [2-[[(1R,3aS,5aR,5bR,9S,11aR)-3a-[[2-[2-[benzyl(dimethyl)ammonio]ethyl-dimethyl-ammonio]acetyl]oxymethyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2-keto-ethyl]-[2-[benzyl(dimethyl)ammonio]ethyl]-dimethyl-ammonium Formula: C60H98N4O4+4 MolecularWeight: 939.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C[N+](C)(C)CC[N+](C)(C)CC6=CC=CC=C6)C)COC(=O)C[N+](C)(C)CC[N+](C)(C)CC7=CC=CC=C7

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C[N+](C)(C)CC[N+](C)(C)CC6=CC=CC=C6)C)COC(=O)C[N+](C)(C)CC[N+](C)(C)CC7=CC=CC=C7

InChI

InChI=1S/C60H98N4O4/c1-45(2)48-28-33-60(44-67-53(65)42-63(12,13)38-36-61(8,9)40-46-22-18-16-19-23-46)35-34-58(6)49(55(48)60)26-27-51-57(5)31-30-52(56(3,4)50(57)29-32-59(51,58)7)68-54(66)43-64(14,15)39-37-62(10,11)41-47-24-20-17-21-25-47/h16-25,48-52,55H,1,26-44H2,2-15H3/q+4/t48-,49?,50?,51?,52-,55?,57-,58+,59+,60+/m0/s1