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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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