ethyl 6-bromanyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-(3-pyridinylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H17BrN3O2+ MolecularWeight: 387.25048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O2/c1-2-24-18(23)15-11-21-16-6-5-13(19)8-14(16)17(15)22-10-12-4-3-7-20-9-12/h3-9,11H,2,10H2,1H3,(H,21,22)/p+1