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

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-mesyl-propyl]ammonium Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-20(18,19)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