ethyl 7,8-dimethyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7,8-dimethyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7,8-dimethyl-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 7,8-dimethyl-4-(3-pyridinylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dimethyl-4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 7,8-dimethyl-4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-4-25-20(24)17-12-23-18-14(3)13(2)7-8-16(18)19(17)22-11-15-6-5-9-21-10-15/h5-10,12H,4,11H2,1-3H3,(H,22,23)/p+1