ethyl 4-chloranyl-1-ethyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-1-ethyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-chloro-1-ethyl-quinolin-1-ium-3-carboxylate CAS Name: 4-chloro-1-ethyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-1-ethylquinolin-1-ium-3-carboxylate Traditional Name: 4-chloro-1-ethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C14H15ClNO2+ MolecularWeight: 264.7274

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C2=CC=CC=C21)Cl)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(=C(C2=CC=CC=C21)Cl)C(=O)OCC

InChI

InChI=1S/C14H15ClNO2/c1-3-16-9-11(14(17)18-4-2)13(15)10-7-5-6-8-12(10)16/h5-9H,3-4H2,1-2H3/q+1