1-[4-[(5-azanyl-1,3-dimethyl-benzimidazol-1-ium-2-yl)diazenyl]phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[(5-azanyl-1,3-dimethyl-benzimidazol-1-ium-2-yl)diazenyl]phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(5-amino-1,3-dimethyl-2-benzimidazol-1-iumyl)azo]phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(5-amino-1,3-dimethylbenzimidazol-1-ium-2-yl)diazenyl]phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]proline Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-24-16-10-5-13(21)12-18(16)25(2)20(24)23-22-14-6-8-15(9-7-14)26-11-3-4-17(26)19(27)28/h5-10,12,17H,3-4,11H2,1-2H3,(H2-,21,22,27,28)/p+1