ethyl 8-chloranyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate chloride

Systemtic Name: ethyl 8-chloranyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate chloride Openeye Name: ethyl 8-chloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate chloride CAS Name: 8-chloro-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolinecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 8-chloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate chloride Traditional Name: 8-chloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylic acid ethyl ester chloride Formula: C18H23Cl2N3O3 MolecularWeight: 400.29952

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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/C18H22ClN3O3.ClH/c1-2-25-18(23)14-12-21-17-13(4-3-5-15(17)19)16(14)20-6-7-22-8-10-24-11-9-22;/h3-5,12H,2,6-11H2,1H3,(H,20,21);1H