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

Systemtic Name: [(7S)-10-azanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Openeye Name: [(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium CAS Name: [(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium IUPAC Name: [(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Traditional Name: [(7S)-10-amino-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)N)[NH3+])OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)N)[NH3+])OC)OC

InChI

InChI=1S/C19H22N2O4/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2/h5,7-9,13H,4,6,20H2,1-3H3,(H2,21,22)/p+1/t13-/m0/s1