N-(3,5-dimethylphenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperidin-1-iumyl)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-16-12-17(2)14-20(13-16)23-21(25)15-24-10-8-19(9-11-24)22(26)18-6-4-3-5-7-18/h3-7,12-14,19H,8-11,15H2,1-2H3,(H,23,25)/p+1