ethyl 6,8-bis(chloranyl)-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-bis(chloranyl)-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Openeye Name: ethyl 6,8-dichloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate CAS Name: 6,8-dichloro-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-dichloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Traditional Name: 6,8-dichloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylic acid ethyl ester Formula: C18H22Cl2N3O3+ MolecularWeight: 399.29158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)Cl)Cl)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)Cl)Cl)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H21Cl2N3O3/c1-2-26-18(24)14-11-22-17-13(9-12(19)10-15(17)20)16(14)21-3-4-23-5-7-25-8-6-23/h9-11H,2-8H2,1H3,(H,21,22)/p+1