N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C21H32N4O+2 MolecularWeight: 356.50498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H30N4O/c1-23(21(18-22)10-6-3-7-11-21)20(26)17-25-14-12-24(13-15-25)16-19-8-4-2-5-9-19/h2,4-5,8-9H,3,6-7,10-17H2,1H3/p+2