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

Systemtic Name: [(7S)-10-azanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-azanium Openeye Name: [(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-ammonium CAS Name: [(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methylammonium IUPAC Name: [(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methylazanium Traditional Name: [(7S)-10-amino-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-22-15-8-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12-6-7-14(21)16(23)10-13(12)15/h6-7,9-10,15,22H,5,8H2,1-4H3,(H2,21,23)/p+1/t15-/m0/s1