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

Systemtic Name: ethyl 6-ethoxy-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate Openeye Name: ethyl 6-ethoxy-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate CAS Name: 6-ethoxy-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate Traditional Name: 6-ethoxy-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O4/c1-3-27-16-6-7-19-17(14-16)20(18(15-23-19)21(25)28-4-2)22-8-5-9-24-10-12-26-13-11-24/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,23)/p+1