N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O2/c1-3-18-11-7-8-17(2)21(18)23-20(26)16-24-12-14-25(15-13-24)22(27)19-9-5-4-6-10-19/h4-11H,3,12-16H2,1-2H3,(H,23,26)/p+1