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

Systemtic Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(1,3-dimethyl-2-benzimidazol-3-iumyl)azo]phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]proline Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCCC4C(=O)O)C

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCCC4C(=O)O)C

InChI

InChI=1S/C20H21N5O2/c1-23-16-6-3-4-7-17(16)24(2)20(23)22-21-14-9-11-15(12-10-14)25-13-5-8-18(25)19(26)27/h3-4,6-7,9-12,18H,5,8,13H2,1-2H3/p+1