ethyl 1-ethyl-4-methylsulfanyl-7-pyridin-4-yl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-methylsulfanyl-7-pyridin-4-yl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 1-ethyl-4-methylsulfanyl-7-(4-pyridyl)quinolin-1-ium-3-carboxylate CAS Name: 1-ethyl-4-(methylthio)-7-pyridin-4-yl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-methylsulfanyl-7-pyridin-4-ylquinolin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-(methylthio)-7-(4-pyridyl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H21N2O2S+ MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C(C(=C1)C(=O)OCC)SC)C3=CC=NC=C3

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C(C(=C1)C(=O)OCC)SC)C3=CC=NC=C3

InChI

InChI=1S/C20H21N2O2S/c1-4-22-13-17(20(23)24-5-2)19(25-3)16-7-6-15(12-18(16)22)14-8-10-21-11-9-14/h6-13H,4-5H2,1-3H3/q+1