diethyl-[(2S)-3-[2-methoxy-4-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(3-methylsulfanylpropylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[3-(methylthio)propylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(3-methylsulfanylpropylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[3-(methylthio)propylammonio]methyl]phenoxy]propyl]ammonium Formula: C19H36N2O3S+2 MolecularWeight: 372.56574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2O3S/c1-5-21(6-2)14-17(22)15-24-18-9-8-16(12-19(18)23-3)13-20-10-7-11-25-4/h8-9,12,17,20,22H,5-7,10-11,13-15H2,1-4H3/p+2/t17-/m0/s1