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

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Openeye Name: ethyl 7,8-dichloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate CAS Name: 7,8-dichloro-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dichloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Traditional Name: 7,8-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=CN=C2C(=C1NCC[NH+]3CCOCC3)C=CC(=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC[NH+]3CCOCC3)C=CC(=C2Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O3/c1-2-26-18(24)13-11-22-17-12(3-4-14(19)15(17)20)16(13)21-5-6-23-7-9-25-10-8-23/h3-4,11H,2,5-10H2,1H3,(H,21,22)/p+1