ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate chloride

Systemtic Name: ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate chloride Openeye Name: ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate chloride CAS Name: 6-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolinecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate chloride Traditional Name: 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylic acid ethyl ester chloride Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCC[NH+]3CCOCC3)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCC[NH+]3CCOCC3)C.[Cl-]

InChI

InChI=1S/C20H27N3O3.ClH/c1-3-26-20(24)17-14-22-18-6-5-15(2)13-16(18)19(17)21-7-4-8-23-9-11-25-12-10-23;/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22);1H