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

Systemtic Name: ethyl 4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 4-(3-pyridinylmethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-3-ylmethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(3-pyridylmethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H18N3O2+ MolecularWeight: 308.35442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c1-2-23-18(22)15-12-20-16-8-4-3-7-14(16)17(15)21-11-13-6-5-9-19-10-13/h3-10,12H,2,11H2,1H3,(H,20,21)/p+1