1-(2-methylsulfanyl-3,4-dihydroquinolin-1-ium-1-yl)pentan-3-one

Systemtic Name: 1-(2-methylsulfanyl-3,4-dihydroquinolin-1-ium-1-yl)pentan-3-one Openeye Name: 1-(2-methylsulfanyl-3,4-dihydroquinolin-1-ium-1-yl)pentan-3-one CAS Name: 1-[2-(methylthio)-3,4-dihydroquinolin-1-ium-1-yl]-3-pentanone IUPAC Name: 1-(2-methylsulfanyl-3,4-dihydroquinolin-1-ium-1-yl)pentan-3-one Traditional Name: 1-[2-(methylthio)-3,4-dihydroquinolin-1-ium-1-yl]pentan-3-one Formula: C15H20NOS+ MolecularWeight: 262.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC[N+]1=C(CCC2=CC=CC=C21)SC

Isomeric SMILES

CCC(=O)CC[N+]1=C(CCC2=CC=CC=C21)SC

InChI

InChI=1S/C15H20NOS/c1-3-13(17)10-11-16-14-7-5-4-6-12(14)8-9-15(16)18-2/h4-7H,3,8-11H2,1-2H3/q+1