[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]ammonium Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC2=CC=CC=C2C1)[NH3+]

InChI

InChI=1S/C14H20N2OS/c1-18-9-7-13(15)14(17)16-8-6-11-4-2-3-5-12(11)10-16/h2-5,13H,6-10,15H2,1H3/p+1/t13-/m0/s1