[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-(4-pyridylmethylcarbamoyl)propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-(4-pyridylmethylcarbamoyl)propyl]ammonium Formula: C11H18N3OS+ MolecularWeight: 240.34512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3OS/c1-16-7-4-10(12)11(15)14-8-9-2-5-13-6-3-9/h2-3,5-6,10H,4,7-8,12H2,1H3,(H,14,15)/p+1/t10-/m0/s1