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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O)C3(CCCCC3)C#N

InChI

InChI=1S/C20H28N4O2/c1-22(20(16-21)9-5-2-6-10-20)19(26)15-23-11-13-24(14-12-23)17-7-3-4-8-18(17)25/h3-4,7-8,25H,2,5-6,9-15H2,1H3/p+1