N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperidin-1-iumyl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O2/c1-19-9-10-23(17-20(19)2)28(14-6-13-26)24(29)18-27-15-11-22(12-16-27)25(30)21-7-4-3-5-8-21/h3-5,7-10,17,22H,6,11-12,14-16,18H2,1-2H3/p+1