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

Systemtic Name: 2-[[4-(3-azanylpyrrolidin-1-yl)phenyl]diazenyl]-N,N,1,3-tetramethyl-benzimidazol-1-ium-5-amine Openeye Name: 2-[4-(3-aminopyrrolidin-1-yl)phenyl]azo-N,N,1,3-tetramethyl-benzimidazol-1-ium-5-amine CAS Name: 2-[4-(3-amino-1-pyrrolidinyl)phenyl]azo-N,N,1,3-tetramethyl-5-benzimidazol-1-iumamine IUPAC Name: 2-[[4-(3-aminopyrrolidin-1-yl)phenyl]diazenyl]-N,N,1,3-tetramethylbenzimidazol-1-ium-5-amine Traditional Name: [2-[4-(3-aminopyrrolidino)phenyl]azo-1,3-dimethyl-benzimidazol-1-ium-5-yl]-dimethyl-amine Formula: C21H28N7+ MolecularWeight: 378.49392

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N7/c1-25(2)18-9-10-19-20(13-18)27(4)21(26(19)3)24-23-16-5-7-17(8-6-16)28-12-11-15(22)14-28/h5-10,13,15H,11-12,14,22H2,1-4H3/q+1