(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: (3-carbethoxy-4-methyl-2-quinolyl)methyl-[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H24FN3O3/c1-4-30-23(29)22-15(2)18-7-5-6-8-19(18)26-20(22)13-27(3)14-21(28)25-17-11-9-16(24)10-12-17/h5-12H,4,13-14H2,1-3H3,(H,25,28)/p+1