2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-(4-m-toluoylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-17-6-5-9-19(14-17)21(26)24-12-10-23(11-13-24)16-20(25)22-15-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3,(H,22,25)/p+1