3-[N-(3-aminophenyl)-C-methyl-carbonimidoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[N-(3-aminophenyl)-C-methyl-carbonimidoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[N-(3-aminophenyl)-C-methyl-carbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[1-(3-aminophenyl)iminoethyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[N-(3-aminophenyl)-C-methylcarbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[N-(3-aminophenyl)-C-methyl-carbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=CC=C1)N)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

Isomeric SMILES

CC(=NC1=CC(=CC=C1)N)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

InChI

InChI=1S/C18H17N3O2/c1-11(20-13-7-5-6-12(19)10-13)16-17(22)14-8-3-4-9-15(14)21(2)18(16)23/h3-10,16H,19H2,1-2H3/p+1