N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-ethanamide Openeye Name: 2-phenyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]acetamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-phenylacetamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-2-phenylacetamide Traditional Name: 2-phenyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)CC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)CC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O/c1-18-10-12-20(13-11-18)21(24-14-6-3-7-15-24)17-23-22(25)16-19-8-4-2-5-9-19/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,23,25)/p+1/t21-/m0/s1