2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C21H31ClN4O+2 MolecularWeight: 390.95004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O/c1-24(21(17-23)8-3-2-4-9-21)20(27)16-26-12-10-25(11-13-26)15-18-6-5-7-19(22)14-18/h5-7,14H,2-4,8-13,15-16H2,1H3/p+2