[(2S)-1-[(4-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-chlorophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[(4-chlorophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(4-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-chlorobenzyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C12H18ClN2OS+ MolecularWeight: 273.80212

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)Cl)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)[NH3+]

InChI

InChI=1S/C12H17ClN2OS/c1-17-7-6-11(14)12(16)15-8-9-2-4-10(13)5-3-9/h2-5,11H,6-8,14H2,1H3,(H,15,16)/p+1/t11-/m0/s1