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

Systemtic Name: 7-[(S)-(4-bromophenyl)-[(3-oxidanylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(S)-(4-bromophenyl)-[(3-hydroxypyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol CAS Name: 7-[(S)-(4-bromophenyl)-[(3-hydroxy-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(S)-(4-bromophenyl)-[(3-hydroxypyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(S)-(4-bromophenyl)-[(3-hydroxypyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Formula: C21H17BrN3O2+ MolecularWeight: 423.28258

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16BrN3O2/c22-15-8-5-14(6-9-15)18(25-21-17(26)4-2-12-24-21)16-10-7-13-3-1-11-23-19(13)20(16)27/h1-12,18,26-27H,(H,24,25)/p+1/t18-/m0/s1