3-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluoroanilino)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H30FN4O2+ MolecularWeight: 425.519003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C24H29FN4O2/c1-4-17-10-11-21-18(14-17)15-19(23(30)26-21)16-29(13-7-12-28(2)3)24(31)27-22-9-6-5-8-20(22)25/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,26,30)(H,27,31)/p+1