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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H36N4O3+2 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O3/c1-25(23(18-24)9-5-4-6-10-23)22(28)17-27-13-11-26(12-14-27)16-19-7-8-20(29-2)21(15-19)30-3/h7-8,15H,4-6,9-14,16-17H2,1-3H3/p+2