2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(p-tolyl)ethanone CAS Name: 2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(p-tolyl)ethanone Formula: C22H29N4O+ MolecularWeight: 365.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O/c1-4-24(5-2)14-15-25-19-8-6-7-9-20(19)26(22(25)23)16-21(27)18-12-10-17(3)11-13-18/h6-13,23H,4-5,14-16H2,1-3H3/p+1