ethyl 2-[1-methyl-4-(phenylmethylsulfanyl)piperidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[1-methyl-4-(phenylmethylsulfanyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-(4-benzylsulfanyl-1-methyl-piperidin-1-ium-1-yl)acetate CAS Name: 2-[1-methyl-4-(phenylmethylthio)-1-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfanyl-1-methylpiperidin-1-ium-1-yl)acetate Traditional Name: 2-[4-(benzylthio)-1-methyl-piperidin-1-ium-1-yl]acetic acid ethyl ester Formula: C17H26NO2S+ MolecularWeight: 308.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCC(CC1)SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C[N+]1(CCC(CC1)SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H26NO2S/c1-3-20-17(19)13-18(2)11-9-16(10-12-18)21-14-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3/q+1