[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+](C)CC1=CC=C(C=C1)SC

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+](C)CC1=CC=C(C=C1)SC

InChI

InChI=1S/C14H22N2OS/c1-5-15-14(17)11(2)16(3)10-12-6-8-13(18-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,15,17)/p+1/t11-/m0/s1