2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-butylsulfanyl-2,2-diphenyl-ethanoate

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-butylsulfanyl-2,2-diphenyl-ethanoate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-butylsulfanyl-2,2-diphenyl-acetate CAS Name: 2-(butylthio)-2,2-diphenylacetic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-butylsulfanyl-2,2-diphenylacetate Traditional Name: 2-(butylthio)-2,2-diphenyl-acetic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C26H36NO2S+ MolecularWeight: 426.63454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+]3(CCCCC3)C

Isomeric SMILES

CCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[N+]3(CCCCC3)C

InChI

InChI=1S/C26H36NO2S/c1-3-4-22-30-26(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25(28)29-21-20-27(2)18-12-7-13-19-27/h5-6,8-11,14-17H,3-4,7,12-13,18-22H2,1-2H3/q+1