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

Systemtic Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-10-(phenethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Openeye Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium CAS Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium IUPAC Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Traditional Name: [(7S)-9-keto-1,2,3-trimethoxy-10-(phenethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-ammonium Formula: C28H33N2O4+ MolecularWeight: 461.57262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-29-22-12-10-19-16-25(32-2)27(33-3)28(34-4)26(19)20-11-13-23(24(31)17-21(20)22)30-15-14-18-8-6-5-7-9-18/h5-9,11,13,16-17,22,29H,10,12,14-15H2,1-4H3,(H,30,31)/p+1/t22-/m0/s1