cyclohexyl-methyl-[(2R)-3-[3-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2R)-3-[3-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(2-methylsulfanylethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[2-(methylthio)ethylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[2-(methylthio)ethylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C20H36N2O2S+2 MolecularWeight: 368.57704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]CCSC)O)C2CCCCC2

Isomeric SMILES

C[NH+](C[C@H](COC1=CC=CC(=C1)C[NH2+]CCSC)O)C2CCCCC2

InChI

InChI=1S/C20H34N2O2S/c1-22(18-8-4-3-5-9-18)15-19(23)16-24-20-10-6-7-17(13-20)14-21-11-12-25-2/h6-7,10,13,18-19,21,23H,3-5,8-9,11-12,14-16H2,1-2H3/p+2/t19-/m1/s1