2-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3,6-bis(ethoxycarbonyl)-4-quinolin-1-iumyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3,6-dicarbethoxyquinolin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium Formula: C19H27N3O4+2 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-5-25-18(23)13-7-8-16-14(11-13)17(20-9-10-22(3)4)15(12-21-16)19(24)26-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21)/p+2