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

Systemtic Name: cyclohexyl-methyl-[(2R)-3-[2-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[(3-methylsulfanylpropylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[[3-(methylthio)propylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[[3-(methylthio)propylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C21H38N2O2S+2 MolecularWeight: 382.60362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CCCSC)O)C2CCCCC2

Isomeric SMILES

C[NH+](C[C@H](COC1=CC=CC=C1C[NH2+]CCCSC)O)C2CCCCC2

InChI

InChI=1S/C21H36N2O2S/c1-23(19-10-4-3-5-11-19)16-20(24)17-25-21-12-7-6-9-18(21)15-22-13-8-14-26-2/h6-7,9,12,19-20,22,24H,3-5,8,10-11,13-17H2,1-2H3/p+2/t20-/m1/s1