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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H34N4O2+2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-24(22(18-23)10-4-3-5-11-22)21(27)17-26-14-12-25(13-15-26)16-19-6-8-20(28-2)9-7-19/h6-9H,3-5,10-17H2,1-2H3/p+2