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

Systemtic Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]diazenyl]phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-2-benzimidazol-1-iumyl]azo]phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[5-(dimethylamino)-1,3-dimethylbenzimidazol-1-ium-2-yl]diazenyl]phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]proline Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O2/c1-25(2)17-11-12-18-20(14-17)27(4)22(26(18)3)24-23-15-7-9-16(10-8-15)28-13-5-6-19(28)21(29)30/h7-12,14,19H,5-6,13H2,1-4H3/p+1