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

Systemtic Name: ethyl 6-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-methyl-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-methyl-4-(3-pyridinylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-methyl-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H20N3O2+ MolecularWeight: 322.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-3-24-19(23)16-12-21-17-7-6-13(2)9-15(17)18(16)22-11-14-5-4-8-20-10-14/h4-10,12H,3,11H2,1-2H3,(H,21,22)/p+1