ethyl 7-chloranyl-8-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-8-methyl-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-8-methyl-4-(3-pyridinylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-8-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 7-chloro-8-methyl-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H19ClN3O2+ MolecularWeight: 356.82606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCC3=CN=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCC3=CN=CC=C3)Cl)C

InChI

InChI=1S/C19H18ClN3O2/c1-3-25-19(24)15-11-23-17-12(2)16(20)7-6-14(17)18(15)22-10-13-5-4-8-21-9-13/h4-9,11H,3,10H2,1-2H3,(H,22,23)/p+1