3-[(3-ethoxycarbonyl-6-fluoranyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-ethoxycarbonyl-6-fluoranyl-quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-ethoxycarbonyl-6-fluoro-quinolin-1-ium-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(3-ethoxycarbonyl-6-fluoro-4-quinolin-1-iumyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-ethoxycarbonyl-6-fluoroquinolin-1-ium-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-carbethoxy-6-fluoro-quinolin-1-ium-4-yl)amino]propyl-dimethyl-ammonium Formula: C17H24FN3O2+2 MolecularWeight: 321.389763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC[NH+](C)C)F

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC[NH+](C)C)F

InChI

InChI=1S/C17H22FN3O2/c1-4-23-17(22)14-11-20-15-7-6-12(18)10-13(15)16(14)19-8-5-9-21(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20)/p+2