4-(3-hexyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)aniline

Systemtic Name: 4-(3-hexyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)aniline Openeye Name: 4-(3-hexyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)aniline CAS Name: 4-(3-hexyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)aniline IUPAC Name: 4-(3-hexyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)aniline Traditional Name: [4-(3-hexyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)phenyl]amine Formula: C21H28N3+ MolecularWeight: 322.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(NC2=C1C=C(C(=C2)C)C)C3=CC=C(C=C3)N

Isomeric SMILES

CCCCCC[N+]1=C(NC2=C1C=C(C(=C2)C)C)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H27N3/c1-4-5-6-7-12-24-20-14-16(3)15(2)13-19(20)23-21(24)17-8-10-18(22)11-9-17/h8-11,13-14H,4-7,12H2,1-3H3,(H2,22,23)/p+1