(4-methylsulfanylphenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-1-methylolpropyl]-[4-(methylthio)benzyl]ammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC=C(C=C1)SC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC=C(C=C1)SC

InChI

InChI=1S/C12H19NOS/c1-3-11(9-14)13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3/p+1/t11-/m1/s1