[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(quinolin-8-ylamino)butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-(quinolin-8-ylamino)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-(8-quinolylcarbamoyl)propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-(8-quinolinylamino)butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-(quinolin-8-ylamino)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-(8-quinolylcarbamoyl)propyl]ammonium Formula: C14H18N3OS+ MolecularWeight: 276.37722

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC2=C1N=CC=C2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC2=C1N=CC=C2)[NH3+]

InChI

InChI=1S/C14H17N3OS/c1-19-9-7-11(15)14(18)17-12-6-2-4-10-5-3-8-16-13(10)12/h2-6,8,11H,7,9,15H2,1H3,(H,17,18)/p+1/t11-/m0/s1