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

Systemtic Name: [2-[[5-acetyloxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-oxidanylidene-ethyl] 2-(1-methylpiperazin-1-ium-1-yl)ethanoate Openeye Name: [2-[(5-acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-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-[(5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-6-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl)oxy]-2-oxoethyl] 2-(1-methylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(1-methylpiperazin-1-ium-1-yl)acetic acid [2-[(5-acetoxy-10,10b-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl)oxy]-2-keto-ethyl] ester Formula: C31H49N2O10+ MolecularWeight: 609.72816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)COC(=O)C[N+]4(CCNCC4)C

Isomeric SMILES

CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)COC(=O)C[N+]4(CCNCC4)C

InChI

InChI=1S/C31H49N2O10/c1-9-28(5)16-21(36)31(39)29(6)20(35)10-11-27(3,4)25(29)24(26(41-19(2)34)30(31,7)43-28)42-23(38)18-40-22(37)17-33(8)14-12-32-13-15-33/h9,20,24-26,32,35,39H,1,10-18H2,2-8H3/q+1