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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(2-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=C2OC)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2OC)C3(CCCCC3)C#N

InChI

InChI=1S/C21H30N4O2/c1-23(21(17-22)10-6-3-7-11-21)20(26)16-24-12-14-25(15-13-24)18-8-4-5-9-19(18)27-2/h4-5,8-9H,3,6-7,10-16H2,1-2H3/p+1