[(2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

CN(CCC1=CC=NC=C1)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H21N3OS/c1-16(13(17)12(14)6-10-18-2)9-5-11-3-7-15-8-4-11/h3-4,7-8,12H,5-6,9-10,14H2,1-2H3/p+1/t12-/m0/s1