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

Systemtic Name: (3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (3-carbethoxy-4-methyl-2-quinolyl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C22H24FN2O2+ MolecularWeight: 367.436563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H23FN2O2/c1-4-27-22(26)21-15(2)18-7-5-6-8-19(18)24-20(21)14-25(3)13-16-9-11-17(23)12-10-16/h5-12H,4,13-14H2,1-3H3/p+1