N-(4-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-(1-oxo-3-phenylpropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-hydrocinnamoylpiperazin-1-ium-1-yl)-N-(p-tolyl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-18-7-10-20(11-8-18)23-21(26)17-24-13-15-25(16-14-24)22(27)12-9-19-5-3-2-4-6-19/h2-8,10-11H,9,12-17H2,1H3,(H,23,26)/p+1