[(2R)-3-[2-methoxy-5-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(2-methylsulfanylethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[2-(methylthio)ethylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(2-methylsulfanylethylazaniumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[2-(methylthio)ethylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C18H34N2O3S+2 MolecularWeight: 358.53916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O3S/c1-14(2)20(3)12-16(21)13-23-18-10-15(6-7-17(18)22-4)11-19-8-9-24-5/h6-7,10,14,16,19,21H,8-9,11-13H2,1-5H3/p+2/t16-/m1/s1