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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2O3S/c1-15(2)21(3)13-17(22)14-24-18-8-7-16(11-19(18)23-4)12-20-9-6-10-25-5/h7-8,11,15,17,20,22H,6,9-10,12-14H2,1-5H3/p+2/t17-/m0/s1