4-(3-phenethyl-1H-benzimidazol-3-ium-2-yl)aniline

Systemtic Name: 4-(3-phenethyl-1H-benzimidazol-3-ium-2-yl)aniline Openeye Name: 4-(3-phenethyl-1H-benzimidazol-3-ium-2-yl)aniline CAS Name: 4-(3-phenethyl-1H-benzimidazol-3-ium-2-yl)aniline IUPAC Name: 4-(3-phenethyl-1H-benzimidazol-3-ium-2-yl)aniline Traditional Name: [4-(3-phenethyl-1H-benzimidazol-3-ium-2-yl)phenyl]amine Formula: C21H20N3+ MolecularWeight: 314.4036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)N

InChI

InChI=1S/C21H19N3/c22-18-12-10-17(11-13-18)21-23-19-8-4-5-9-20(19)24(21)15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,22,23)/p+1