7-[(S)-(3-methoxy-4-oxidanyl-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate

Systemtic Name: 7-[(S)-(3-methoxy-4-oxidanyl-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate Openeye Name: 7-[(S)-(4-hydroxy-3-methoxy-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate CAS Name: 7-[(S)-(4-hydroxy-3-methoxyphenyl)-[(6-methyl-2-pyridin-1-iumyl)amino]methyl]-2-methyl-8-quinolinolate IUPAC Name: 7-[(S)-(4-hydroxy-3-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-olate Traditional Name: 7-[(S)-(4-hydroxy-3-methoxy-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3/c1-14-5-4-6-21(25-14)27-22(17-10-12-19(28)20(13-17)30-3)18-11-9-16-8-7-15(2)26-23(16)24(18)29/h4-13,22,28-29H,1-3H3,(H,25,27)/t22-/m0/s1