ethyl 8-ethyl-4-(3-morpholin-4-ylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-ethyl-4-(3-morpholin-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-ethyl-4-(3-morpholinopropylamino)quinolin-1-ium-3-carboxylate CAS Name: 8-ethyl-4-[3-(4-morpholinyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-ethyl-4-(3-morpholin-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 8-ethyl-4-(3-morpholinopropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=C[NH+]=C21)C(=O)OCC)NCCCN3CCOCC3

Isomeric SMILES

CCC1=CC=CC2=C(C(=C[NH+]=C21)C(=O)OCC)NCCCN3CCOCC3

InChI

InChI=1S/C21H29N3O3/c1-3-16-7-5-8-17-19(16)23-15-18(21(25)27-4-2)20(17)22-9-6-10-24-11-13-26-14-12-24/h5,7-8,15H,3-4,6,9-14H2,1-2H3,(H,22,23)/p+1