[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[(2S)-4-methylsulfanylbutan-2-yl]azanium

Systemtic Name: [(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[(2S)-4-methylsulfanylbutan-2-yl]azanium Openeye Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1S)-1-methyl-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(2S)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(2S)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1S)-1-methyl-3-(methylthio)propyl]ammonium Formula: C15H25ClNO2S+ MolecularWeight: 318.8825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24ClNO2S/c1-11-8-14(4-5-15(11)16)19-10-13(18)9-17-12(2)6-7-20-3/h4-5,8,12-13,17-18H,6-7,9-10H2,1-3H3/p+1/t12-,13-/m0/s1