cyclohexyl-[(2R)-3-[2-methoxy-4-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(3-methylsulfanylpropylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[[3-(methylthio)propylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[[3-(methylthio)propylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H40N2O3S+2 MolecularWeight: 412.6296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O3S/c1-24(19-8-5-4-6-9-19)16-20(25)17-27-21-11-10-18(14-22(21)26-2)15-23-12-7-13-28-3/h10-11,14,19-20,23,25H,4-9,12-13,15-17H2,1-3H3/p+2/t20-/m1/s1