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

Systemtic Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]piperidine-2-carboxylic acid Openeye Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]piperidine-2-carboxylic acid CAS Name: 1-[4-[(1,3-dimethyl-2-benzimidazol-3-iumyl)azo]phenyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]pipecolinic 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)N4CCCCC4C(=O)O)C

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCCCC4C(=O)O)C

InChI

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