dimethyl-[3-oxidanylidene-3-[(1S,2R)-2-(phenylmethylsulfanyl)cyclohexyl]oxy-propyl]azanium

Systemtic Name: dimethyl-[3-oxidanylidene-3-[(1S,2R)-2-(phenylmethylsulfanyl)cyclohexyl]oxy-propyl]azanium Openeye Name: [3-[(1S,2R)-2-benzylsulfanylcyclohexoxy]-3-oxo-propyl]-dimethyl-ammonium CAS Name: dimethyl-[3-oxo-3-[(1S,2R)-2-(phenylmethylthio)cyclohexyl]oxypropyl]ammonium IUPAC Name: [3-[(1S,2R)-2-benzylsulfanylcyclohexyl]oxy-3-oxopropyl]-dimethylazanium Traditional Name: [3-[(1S,2R)-2-(benzylthio)cyclohexoxy]-3-keto-propyl]-dimethyl-ammonium Formula: C18H28NO2S+ MolecularWeight: 322.48542

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)OC1CCCCC1SCC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCC(=O)O[C@H]1CCCC[C@H]1SCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2S/c1-19(2)13-12-18(20)21-16-10-6-7-11-17(16)22-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/p+1/t16-,17+/m0/s1