[2-[[3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-2-oxidanylidene-ethyl] 2-(1-methylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: [2-[[3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-2-oxidanylidene-ethyl] 2-(1-methylpiperazin-1-ium-1-yl)ethanoate Openeye Name: [2-[(6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl)oxy]-2-oxo-ethyl] 2-(1-methylpiperazin-1-ium-1-yl)acetate CAS Name: 2-(1-methyl-1-piperazin-1-iumyl)acetic acid [2-[(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl)oxy]-2-oxoethyl] 2-(1-methylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(1-methylpiperazin-1-ium-1-yl)acetic acid [2-[(6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl)oxy]-2-keto-ethyl] ester Formula: C29H47N2O9+ MolecularWeight: 567.69148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)COC(=O)C[N+]4(CCNCC4)C)O)C)O)C

Isomeric SMILES

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)COC(=O)C[N+]4(CCNCC4)C)O)C)O)C

InChI

InChI=1S/C29H47N2O9/c1-8-26(4)15-19(33)29(37)27(5)18(32)9-10-25(2,3)23(27)22(36)24(28(29,6)40-26)39-21(35)17-38-20(34)16-31(7)13-11-30-12-14-31/h8,18,22-24,30,32,36-37H,1,9-17H2,2-7H3/q+1