4-[3-(2-phenoxyethyl)-1H-benzimidazol-3-ium-2-yl]aniline

Systemtic Name: 4-[3-(2-phenoxyethyl)-1H-benzimidazol-3-ium-2-yl]aniline Openeye Name: 4-[3-(2-phenoxyethyl)-1H-benzimidazol-3-ium-2-yl]aniline CAS Name: 4-[3-(2-phenoxyethyl)-1H-benzimidazol-3-ium-2-yl]aniline IUPAC Name: 4-[3-(2-phenoxyethyl)-1H-benzimidazol-3-ium-2-yl]aniline Traditional Name: [4-[3-(2-phenoxyethyl)-1H-benzimidazol-3-ium-2-yl]phenyl]amine Formula: C21H20N3O+ MolecularWeight: 330.403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O/c22-17-12-10-16(11-13-17)21-23-19-8-4-5-9-20(19)24(21)14-15-25-18-6-2-1-3-7-18/h1-13H,14-15H2,(H2,22,23)/p+1