N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O/c1-24(22(18-23)12-6-3-7-13-22)21(26)17-25-14-10-20(11-15-25)16-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3/p+1