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

Systemtic Name: 2-[(6-ethoxy-3-ethoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-3-ethoxycarbonyl-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-3-ethoxycarbonyl-4-quinolin-1-iumyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-3-ethoxycarbonylquinolin-1-ium-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-carbethoxy-6-ethoxy-quinolin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium Formula: C18H27N3O3+2 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC[NH+](C)C

InChI

InChI=1S/C18H25N3O3/c1-5-23-13-7-8-16-14(11-13)17(19-9-10-21(3)4)15(12-20-16)18(22)24-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20)/p+2