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

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O/c1-19(2,15-20)21(3)18(23)14-22-11-9-17(10-12-22)13-16-7-5-4-6-8-16/h4-8,17H,9-14H2,1-3H3/p+1