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

Systemtic Name: N-(4-methylphenyl)-2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-(1-oxo-2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-17-7-9-18(10-8-17)22-20(25)15-23-11-13-24(14-12-23)21(26)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25)/p+1