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

Systemtic Name: 1-[4-[(5-azanyl-1,3-dimethyl-benzimidazol-1-ium-2-yl)diazenyl]phenyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(5-amino-1,3-dimethyl-2-benzimidazol-1-iumyl)azo]phenyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(5-amino-1,3-dimethylbenzimidazol-1-ium-2-yl)diazenyl]phenyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]-4-hydroxy-proline Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)N)[N+](=C1N=NC3=CC=C(C=C3)N4CC(CC4C(=O)O)O)C

Isomeric SMILES

CN1C2=C(C=CC(=C2)N)[N+](=C1N=NC3=CC=C(C=C3)N4CC(CC4C(=O)O)O)C

InChI

InChI=1S/C20H22N6O3/c1-24-16-8-3-12(21)9-17(16)25(2)20(24)23-22-13-4-6-14(7-5-13)26-11-15(27)10-18(26)19(28)29/h3-9,15,18,27H,10-11H2,1-2H3,(H2-,21,22,28,29)/p+1