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

Systemtic Name: 2-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluoroanilino)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]ethyl-dimethyl-ammonium Formula: C23H28FN4O3+ MolecularWeight: 427.491823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C23H27FN4O3/c1-4-31-18-9-10-20-16(14-18)13-17(22(29)25-20)15-28(12-11-27(2)3)23(30)26-21-8-6-5-7-19(21)24/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,25,29)(H,26,30)/p+1