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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)[O-])NC4=[NH+]C=CC(=C4)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])NC4=[NH+]C=CC(=C4)C)O

InChI

InChI=1S/C24H23N3O3/c1-3-30-20-14-17(7-9-19(20)28)22(27-21-13-15(2)10-12-25-21)18-8-6-16-5-4-11-26-23(16)24(18)29/h4-14,22,28-29H,3H2,1-2H3,(H,25,27)/t22-/m0/s1