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

Systemtic Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]diazenyl]phenyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-2-benzimidazol-1-iumyl]azo]phenyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[5-(dimethylamino)-1,3-dimethylbenzimidazol-1-ium-2-yl]diazenyl]phenyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]-4-hydroxy-proline Formula: C22H27N6O3+ MolecularWeight: 423.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-25(2)16-9-10-18-19(11-16)27(4)22(26(18)3)24-23-14-5-7-15(8-6-14)28-13-17(29)12-20(28)21(30)31/h5-11,17,20,29H,12-13H2,1-4H3/p+1