(1,1-dimethylpiperidin-1-ium-4-yl) 2-methylsulfanyl-2,2-diphenyl-ethanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-methylsulfanyl-2,2-diphenyl-ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-methylsulfanyl-2,2-diphenyl-acetate CAS Name: 2-(methylthio)-2,2-diphenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-methylsulfanyl-2,2-diphenylacetate Traditional Name: 2-(methylthio)-2,2-diphenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C22H28NO2S+ MolecularWeight: 370.52822

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC)C

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC)C

InChI

InChI=1S/C22H28NO2S/c1-23(2)16-14-20(15-17-23)25-21(24)22(26-3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3/q+1