1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]piperidine-3-carboxylic acid CAS Name: 1-[4-[(1,3-dimethyl-2-benzimidazol-3-iumyl)azo]phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]nipecotic acid Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O)C

InChI

InChI=1S/C21H23N5O2/c1-24-18-7-3-4-8-19(18)25(2)21(24)23-22-16-9-11-17(12-10-16)26-13-5-6-15(14-26)20(27)28/h3-4,7-12,15H,5-6,13-14H2,1-2H3/p+1