2-[[4-(1,4-diazepan-1-yl)phenyl]diazenyl]-N,N,1,3-tetramethyl-benzimidazol-1-ium-5-amine

Systemtic Name: 2-[[4-(1,4-diazepan-1-yl)phenyl]diazenyl]-N,N,1,3-tetramethyl-benzimidazol-1-ium-5-amine Openeye Name: 2-[4-(1,4-diazepan-1-yl)phenyl]azo-N,N,1,3-tetramethyl-benzimidazol-1-ium-5-amine CAS Name: 2-[4-(1,4-diazepan-1-yl)phenyl]azo-N,N,1,3-tetramethyl-5-benzimidazol-1-iumamine IUPAC Name: 2-[[4-(1,4-diazepan-1-yl)phenyl]diazenyl]-N,N,1,3-tetramethylbenzimidazol-1-ium-5-amine Traditional Name: [2-[4-(1,4-diazepan-1-yl)phenyl]azo-1,3-dimethyl-benzimidazol-1-ium-5-yl]-dimethyl-amine Formula: C22H30N7+ MolecularWeight: 392.5205

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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)N4CCCNCC4)C

Isomeric SMILES

CN1C2=C(C=CC(=C2)N(C)C)[N+](=C1N=NC3=CC=C(C=C3)N4CCCNCC4)C

InChI

InChI=1S/C22H30N7/c1-26(2)19-10-11-20-21(16-19)28(4)22(27(20)3)25-24-17-6-8-18(9-7-17)29-14-5-12-23-13-15-29/h6-11,16,23H,5,12-15H2,1-4H3/q+1