ethyl 4-oxidanylidene-1-(sulfanylmethyl)-4aH-quinolin-1-ium-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-1-(sulfanylmethyl)-4aH-quinolin-1-ium-2-carboxylate Openeye Name: ethyl 4-oxo-1-(sulfanylmethyl)-4aH-quinolin-1-ium-2-carboxylate CAS Name: 1-(mercaptomethyl)-4-oxo-4aH-quinolin-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-1-(sulfanylmethyl)-4aH-quinolin-1-ium-2-carboxylate Traditional Name: 4-keto-1-(mercaptomethyl)-4aH-quinolin-1-ium-2-carboxylic acid ethyl ester Formula: C13H14NO3S+ MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2C=CC=CC2=[N+]1CS

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2C=CC=CC2=[N+]1CS

InChI

InChI=1S/C13H13NO3S/c1-2-17-13(16)11-7-12(15)9-5-3-4-6-10(9)14(11)8-18/h3-7,9H,2,8H2,1H3/p+1