6-chloranyl-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate

Systemtic Name: 6-chloranyl-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Openeye Name: 6-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate CAS Name: 6-chloro-8-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolinecarboxylate IUPAC Name: 6-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Traditional Name: 6-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Formula: C17H20ClN3O3 MolecularWeight: 349.812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=C(C=N2)C(=O)[O-])NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=C(C=N2)C(=O)[O-])NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H20ClN3O3/c1-11-8-12(18)9-13-15(11)20-10-14(17(22)23)16(13)19-2-3-21-4-6-24-7-5-21/h8-10H,2-7H2,1H3,(H,19,20)(H,22,23)