N-(2-cyanoethyl)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)N(C)CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)N(C)CCC#N)C

InChI

InChI=1S/C20H27N3O2/c1-15-5-6-18(16(2)13-15)20(25)17-7-11-23(12-8-17)14-19(24)22(3)10-4-9-21/h5-6,13,17H,4,7-8,10-12,14H2,1-3H3/p+1