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

Systemtic Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N3O3+2 MolecularWeight: 345.43598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-2-25-19(23)16-14-21-17-7-4-3-6-15(17)18(16)20-8-5-9-22-10-12-24-13-11-22/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,20,21)/p+2