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

Systemtic Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]-3-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]-3-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(1,3-dimethyl-2-benzimidazol-3-iumyl)azo]phenyl]-3-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]phenyl]-3-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)azophenyl]-3-hydroxy-proline Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCC(C4C(=O)O)O)C

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCC(C4C(=O)O)O)C

InChI

InChI=1S/C20H21N5O3/c1-23-15-5-3-4-6-16(15)24(2)20(23)22-21-13-7-9-14(10-8-13)25-12-11-17(26)18(25)19(27)28/h3-10,17-18,26H,11-12H2,1-2H3/p+1