N-[2-(2-methylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(2-methylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(o-tolyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2-methylphenyl)ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(2-methylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(o-tolyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-18-7-5-6-8-19(18)11-12-22-21(25)17-23-13-15-24(16-14-23)20-9-3-2-4-10-20/h2-10H,11-17H2,1H3,(H,22,25)/p+1