7-[(S)-(3,5-dimethoxy-4-oxidanyl-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate

Systemtic Name: 7-[(S)-(3,5-dimethoxy-4-oxidanyl-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate Openeye Name: 7-[(S)-(4-hydroxy-3,5-dimethoxy-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate CAS Name: 7-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)-[(6-methyl-2-pyridin-1-iumyl)amino]methyl]-2-methyl-8-quinolinolate IUPAC Name: 7-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-olate Traditional Name: 7-[(S)-(4-hydroxy-3,5-dimethoxy-phenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-olate Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC(C2=C(C3=C(C=CC(=N3)C)C=C2)[O-])C4=CC(=C(C(=C4)OC)O)OC

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N[C@H](C2=C(C3=C(C=CC(=N3)C)C=C2)[O-])C4=CC(=C(C(=C4)OC)O)OC

InChI

InChI=1S/C25H25N3O4/c1-14-6-5-7-21(26-14)28-22(17-12-19(31-3)25(30)20(13-17)32-4)18-11-10-16-9-8-15(2)27-23(16)24(18)29/h5-13,22,29-30H,1-4H3,(H,26,28)/t22-/m0/s1