ethyl 6,8-dimethyl-4-(3-morpholin-4-ylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6,8-dimethyl-4-(3-morpholin-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6,8-dimethyl-4-(3-morpholinopropylamino)quinolin-1-ium-3-carboxylate CAS Name: 6,8-dimethyl-4-[3-(4-morpholinyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-dimethyl-4-(3-morpholin-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6,8-dimethyl-4-(3-morpholinopropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)C)NCCCN3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)C)NCCCN3CCOCC3

InChI

InChI=1S/C21H29N3O3/c1-4-27-21(25)18-14-23-19-16(3)12-15(2)13-17(19)20(18)22-6-5-7-24-8-10-26-11-9-24/h12-14H,4-11H2,1-3H3,(H,22,23)/p+1