ethyl 7,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate

Systemtic Name: ethyl 7,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Openeye Name: ethyl 7,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate CAS Name: 7,8-dimethyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Traditional Name: 7,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-4-26-20(24)17-13-22-18-15(3)14(2)5-6-16(18)19(17)21-7-8-23-9-11-25-12-10-23/h5-6,13H,4,7-12H2,1-3H3,(H,21,22)/p+1