N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-(phenylthio)acetamide Formula: C24H33N2OS+ MolecularWeight: 397.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C24H32N2OS/c1-20-9-6-7-11-22(20)14-16-26-15-8-10-21(18-26)17-25(2)24(27)19-28-23-12-4-3-5-13-23/h3-7,9,11-13,21H,8,10,14-19H2,1-2H3/p+1/t21-/m1/s1