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

Systemtic Name: ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-ethoxy-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-ethoxy-4-(3-pyridinylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-ethoxy-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC3=CN=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-3-25-15-7-8-18-16(10-15)19(17(13-22-18)20(24)26-4-2)23-12-14-6-5-9-21-11-14/h5-11,13H,3-4,12H2,1-2H3,(H,22,23)/p+1