7-[(S)-(2-chlorophenyl)-[(3-oxidanylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

Systemtic Name: 7-[(S)-(2-chlorophenyl)-[(3-oxidanylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(S)-(2-chlorophenyl)-[(3-hydroxypyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol CAS Name: 7-[(S)-(2-chlorophenyl)-[(3-hydroxy-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(S)-(2-chlorophenyl)-[(3-hydroxypyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(S)-(2-chlorophenyl)-[(3-hydroxypyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Formula: C21H17ClN3O2+ MolecularWeight: 378.83158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=C(C=CC=[NH+]4)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O2/c22-16-7-2-1-6-14(16)19(25-21-17(26)8-4-12-24-21)15-10-9-13-5-3-11-23-18(13)20(15)27/h1-12,19,26-27H,(H,24,25)/p+1/t19-/m1/s1