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

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-methylsulfanylethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[[2-(methylthio)ethylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[[2-(methylthio)ethylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C21H38N2O3S+2 MolecularWeight: 398.60302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O3S/c1-23(18-7-5-4-6-8-18)15-19(24)16-26-20-10-9-17(13-21(20)25-2)14-22-11-12-27-3/h9-10,13,18-19,22,24H,4-8,11-12,14-16H2,1-3H3/p+2/t19-/m1/s1