N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H28N4O2/c1-23(21(17-22)10-6-3-7-11-21)19(26)16-24-12-14-25(15-13-24)20(27)18-8-4-2-5-9-18/h2,4-5,8-9H,3,6-7,10-16H2,1H3/p+1