(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O2S/c1-13(22-16-10-4-5-12-19(16)21)17(20)18-11-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-10,12-13H,6,8,11H2,1H3/t13-/m0/s1