(2S)-N-(2,5-dimethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methyl-1-piperidin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O/c1-16-11-13-24(14-12-16)21(19-7-5-4-6-8-19)22(25)23-20-15-17(2)9-10-18(20)3/h4-10,15-16,21H,11-14H2,1-3H3,(H,23,25)/p+1/t21-/m0/s1