7-[(S)-(3-methoxy-4-oxidanyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-olate

Systemtic Name: 7-[(S)-(3-methoxy-4-oxidanyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-olate Openeye Name: 7-[(S)-(4-hydroxy-3-methoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-olate CAS Name: 7-[(S)-(4-hydroxy-3-methoxyphenyl)-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolinolate IUPAC Name: 7-[(S)-(4-hydroxy-3-methoxyphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-olate Traditional Name: 7-[(S)-(4-hydroxy-3-methoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-olate Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=CC(=C(C=C2)O)OC)C3=C(C4=C(C=CC=N4)C=C3)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@@H](C2=CC(=C(C=C2)O)OC)C3=C(C4=C(C=CC=N4)C=C3)[O-]

InChI

InChI=1S/C23H21N3O3/c1-14-9-11-24-20(12-14)26-21(16-6-8-18(27)19(13-16)29-2)17-7-5-15-4-3-10-25-22(15)23(17)28/h3-13,21,27-28H,1-2H3,(H,24,26)/t21-/m0/s1