(2S)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C22H26N2O2/c1-15-8-9-19(16(2)14-15)21(25)18-10-12-24(13-11-18)20(22(23)26)17-6-4-3-5-7-17/h3-9,14,18,20H,10-13H2,1-2H3,(H2,23,26)/p+1/t20-/m0/s1