[(2S)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-[(2S)-4-methylsulfanylbutan-2-yl]azanium

Systemtic Name: [(2S)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-[(2S)-4-methylsulfanylbutan-2-yl]azanium Openeye Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-[(1S)-1-methyl-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-[(2S)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-[(2S)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-[(1S)-1-methyl-3-(methylthio)propyl]ammonium Formula: C16H28NO2S+ MolecularWeight: 298.46402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH2+]C(C)CCSC)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH2+][C@@H](C)CCSC)O)C

InChI

InChI=1S/C16H27NO2S/c1-12-5-6-16(13(2)9-12)19-11-15(18)10-17-14(3)7-8-20-4/h5-6,9,14-15,17-18H,7-8,10-11H2,1-4H3/p+1/t14-,15-/m0/s1