7-[(S)-(3-ethoxy-4-oxidanyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-olate

Systemtic Name: 7-[(S)-(3-ethoxy-4-oxidanyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-olate Openeye Name: 7-[(S)-(3-ethoxy-4-hydroxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-olate CAS Name: 7-[(S)-(3-ethoxy-4-hydroxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinolate IUPAC Name: 7-[(S)-(3-ethoxy-4-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-olate Traditional Name: 7-[(S)-(3-ethoxy-4-hydroxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-olate Formula: C23H21N3O3 MolecularWeight: 387.43114

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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=CC=CC=[NH+]4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])NC4=CC=CC=[NH+]4)O

InChI

InChI=1S/C23H21N3O3/c1-2-29-19-14-16(9-11-18(19)27)21(26-20-7-3-4-12-24-20)17-10-8-15-6-5-13-25-22(15)23(17)28/h3-14,21,27-28H,2H2,1H3,(H,24,26)/t21-/m0/s1