ethyl 6-chloranyl-8-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-8-methyl-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-8-methyl-4-(3-pyridinylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-8-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-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(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCC3=CN=CC=C3

InChI

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