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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2,4-dimethylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2,4-dimethylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2,4-dimethylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-17-8-9-20(18(2)14-17)22(27)25-12-10-24(11-13-25)16-21(26)23-15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)/p+1