ethyl 8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate CAS Name: 8-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N3O3+2 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=CC=CC2=C1NCC[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=CC=CC2=C1NCC[NH+]3CCOCC3)C

InChI

InChI=1S/C19H25N3O3/c1-3-25-19(23)16-13-21-17-14(2)5-4-6-15(17)18(16)20-7-8-22-9-11-24-12-10-22/h4-6,13H,3,7-12H2,1-2H3,(H,20,21)/p+2