(3R,5R)-3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium

Systemtic Name: (3R,5R)-3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium Openeye Name: (3R,5R)-3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium CAS Name: (3R,5R)-3,5-dimethyl-1-[2-[2-(phenylthio)ethoxy]ethyl]piperidin-1-ium IUPAC Name: (3R,5R)-3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidin-1-ium Traditional Name: (3R,5R)-3,5-dimethyl-1-[2-[2-(phenylthio)ethoxy]ethyl]piperidin-1-ium Formula: C17H28NOS+ MolecularWeight: 294.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOCCSC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCOCCSC2=CC=CC=C2)C

InChI

InChI=1S/C17H27NOS/c1-15-12-16(2)14-18(13-15)8-9-19-10-11-20-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3/p+1/t15-,16-/m1/s1