(3-fluorophenyl)methyl-(2-hydroxyethyl)-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-(2-hydroxyethyl)-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: (3-fluorophenyl)methyl-(2-hydroxyethyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: (3-fluorophenyl)methyl-(2-hydroxyethyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-(2-hydroxyethyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: (3-fluorobenzyl)-(2-hydroxyethyl)-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]ammonium Formula: C20H22FN2O2+ MolecularWeight: 341.399283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCO)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+](CCO)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN2O2/c1-14-5-6-19-16(9-14)11-17(20(25)22-19)13-23(7-8-24)12-15-3-2-4-18(21)10-15/h2-6,9-11,24H,7-8,12-13H2,1H3,(H,22,25)/p+1