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

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate CAS Name: 7-chloro-8-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate Traditional Name: 7-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylic acid ethyl ester Formula: C19H25ClN3O3+ MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O3/c1-3-26-19(24)15-12-22-17-13(2)16(20)5-4-14(17)18(15)21-6-7-23-8-10-25-11-9-23/h4-5,12H,3,6-11H2,1-2H3,(H,21,22)/p+1