3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[3,6-bis(ethoxycarbonyl)-4-quinolyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[3,6-bis(ethoxycarbonyl)-4-quinolinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(3,6-dicarbethoxy-4-quinolyl)amino]propyl-dimethyl-ammonium Formula: C20H28N3O4+ MolecularWeight: 374.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCCC[NH+](C)C

InChI

InChI=1S/C20H27N3O4/c1-5-26-19(24)14-8-9-17-15(12-14)18(21-10-7-11-23(3)4)16(13-22-17)20(25)27-6-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,21,22)/p+1