6-[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(1-oxidopyridin-1-ium-2-yl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[4-[(1-oxido-2-pyridin-1-iumyl)thio]butoxy]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(1-oxidopyridin-1-ium-2-yl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-[(1-oxidopyridin-1-ium-2-yl)thio]butoxy]-3,4-dihydrocarbostyril Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)OCCCCSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)OCCCCSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H20N2O3S/c21-17-9-6-14-13-15(7-8-16(14)19-17)23-11-3-4-12-24-18-5-1-2-10-20(18)22/h1-2,5,7-8,10,13H,3-4,6,9,11-12H2,(H,19,21)