methyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=CC=CC=[N+]3[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=CC=CC=[N+]3[O-])C(=O)OC

InChI

InChI=1S/C18H16N2O3S/c1-12-13-7-3-4-8-14(13)19-15(17(12)18(21)23-2)11-24-16-9-5-6-10-20(16)22/h3-10H,11H2,1-2H3