N-(1-cyanocyclohexyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-23(21(17-22)9-4-3-5-10-21)20(26)16-24-11-13-25(14-12-24)18-7-6-8-19(15-18)27-2/h6-8,15H,3-5,9-14,16H2,1-2H3/p+1