[(2S)-1-[(4-dimethylaminophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-dimethylaminophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-dimethylaminophenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(dimethylamino)anilino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(dimethylamino)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-dimethylaminophenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H22N3OS+ MolecularWeight: 268.39828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H21N3OS/c1-16(2)11-6-4-10(5-7-11)15-13(17)12(14)8-9-18-3/h4-7,12H,8-9,14H2,1-3H3,(H,15,17)/p+1/t12-/m0/s1