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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-14-4-5-17(15(2)12-14)19(24)16-6-10-22(11-7-16)13-18(23)21-9-3-8-20/h4-5,12,16H,3,6-7,9-11,13H2,1-2H3,(H,21,23)/p+1