[(7S)-10-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-azanium

Systemtic Name: [(7S)-10-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-azanium Openeye Name: [(7S)-10-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-ammonium CAS Name: [(7S)-10-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methylammonium IUPAC Name: [(7S)-10-[2-(3,4-dimethoxyphenyl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methylazanium Traditional Name: [(7S)-10-(homoveratrylamino)-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-ammonium Formula: C30H37N2O6+ MolecularWeight: 521.62458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC4=CC(=C(C=C4)OC)OC)OC)OC)OC

Isomeric SMILES

C[NH2+][C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC4=CC(=C(C=C4)OC)OC)OC)OC)OC

InChI

InChI=1S/C30H36N2O6/c1-31-22-10-8-19-16-27(36-4)29(37-5)30(38-6)28(19)20-9-11-23(24(33)17-21(20)22)32-14-13-18-7-12-25(34-2)26(15-18)35-3/h7,9,11-12,15-17,22,31H,8,10,13-14H2,1-6H3,(H,32,33)/p+1/t22-/m0/s1