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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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