[(2R)-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[[3-(methylthio)phenyl]methylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[[3-(methylthio)benzyl]ammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C23H36N2O3S+2 MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH2+]CC2=CC(=CC=C2)SC)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH2+]CC2=CC(=CC=C2)SC)OC)O

InChI

InChI=1S/C23H34N2O3S/c1-17(2)25(3)15-20(26)16-28-22-10-9-19(12-23(22)27-4)14-24-13-18-7-6-8-21(11-18)29-5/h6-12,17,20,24,26H,13-16H2,1-5H3/p+2/t20-/m1/s1