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

Systemtic Name: ethyl 6,8-bis(chloranyl)-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate Openeye Name: ethyl 6,8-dichloro-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate CAS Name: 6,8-dichloro-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-dichloro-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate Traditional Name: 6,8-dichloro-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylic acid ethyl ester Formula: C19H24Cl2N3O3+ MolecularWeight: 413.31816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23Cl2N3O3/c1-2-27-19(25)15-12-23-18-14(10-13(20)11-16(18)21)17(15)22-4-3-5-24-6-8-26-9-7-24/h10-12H,2-9H2,1H3,(H,22,23)/p+1