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

Systemtic Name: 2-[4-(2,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-28-18-8-9-19(20(14-18)29-2)22(27)25-12-10-24(11-13-25)16-21(26)23-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)/p+1