3-[3-[methyl(phenyl)amino]propyl]-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-[3-[methyl(phenyl)amino]propyl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[3-(N-methylanilino)propyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[3-(N-methylanilino)propyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[3-(N-methylanilino)propyl]-1H-benzimidazol-3-ium-2-amine Traditional Name: 3-(2-amino-3H-benzimidazol-1-ium-1-yl)propyl-methyl-phenyl-amine Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[N+]1=C(NC2=CC=CC=C21)N)C3=CC=CC=C3

Isomeric SMILES

CN(CCC[N+]1=C(NC2=CC=CC=C21)N)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4/c1-20(14-8-3-2-4-9-14)12-7-13-21-16-11-6-5-10-15(16)19-17(21)18/h2-6,8-11H,7,12-13H2,1H3,(H2,18,19)/p+1