7-[(S)-(4-nitrophenyl)-[(3-oxidanylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

Systemtic Name: 7-[(S)-(4-nitrophenyl)-[(3-oxidanylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(S)-[(3-hydroxypyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol CAS Name: 7-[(S)-[(3-hydroxy-2-pyridin-1-iumyl)amino]-(4-nitrophenyl)methyl]-8-quinolinol IUPAC Name: 7-[(S)-[(3-hydroxypyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol Traditional Name: 7-[(S)-[(3-hydroxypyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol Formula: C21H17N4O4+ MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4/c26-17-4-2-12-23-21(17)24-18(14-5-8-15(9-6-14)25(28)29)16-10-7-13-3-1-11-22-19(13)20(16)27/h1-12,18,26-27H,(H,23,24)/p+1/t18-/m0/s1