[(3S)-1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(8-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(8-fluoro-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(8-fluoroquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C23H24FN2O2+ MolecularWeight: 379.447263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=C(C=CC=C4F)C=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=CC=C4F)C=C3

InChI

InChI=1S/C23H23FN2O2/c1-28-20-8-2-6-17(13-20)23(27)18-7-4-12-26(14-18)15-19-11-10-16-5-3-9-21(24)22(16)25-19/h2-3,5-6,8-11,13,18H,4,7,12,14-15H2,1H3/p+1/t18-/m0/s1