2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-phenethyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

InChI

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