1-[4-[[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]diazenyl]phenyl]pyrrolidin-3-ol

Systemtic Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]diazenyl]phenyl]pyrrolidin-3-ol Openeye Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]pyrrolidin-3-ol CAS Name: 1-[4-[[5-(dimethylamino)-1,3-dimethyl-2-benzimidazol-1-iumyl]azo]phenyl]-3-pyrrolidinol IUPAC Name: 1-[4-[[5-(dimethylamino)-1,3-dimethylbenzimidazol-1-ium-2-yl]diazenyl]phenyl]pyrrolidin-3-ol Traditional Name: 1-[4-[5-(dimethylamino)-1,3-dimethyl-benzimidazol-1-ium-2-yl]azophenyl]pyrrolidin-3-ol Formula: C21H27N6O+ MolecularWeight: 379.47868

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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)N4CCC(C4)O)C

Isomeric SMILES

CN1C2=C(C=CC(=C2)N(C)C)[N+](=C1N=NC3=CC=C(C=C3)N4CCC(C4)O)C

InChI

InChI=1S/C21H27N6O/c1-24(2)17-9-10-19-20(13-17)26(4)21(25(19)3)23-22-15-5-7-16(8-6-15)27-12-11-18(28)14-27/h5-10,13,18,28H,11-12,14H2,1-4H3/q+1