(2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-2-(4-methyl-1-piperidin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenyl-acetamide Formula: C21H26ClN2O+ MolecularWeight: 357.89694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O/c1-15-10-12-24(13-11-15)20(17-6-4-3-5-7-17)21(25)23-18-9-8-16(2)19(22)14-18/h3-9,14-15,20H,10-13H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1