2-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-3-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C23H24FN2O3+ MolecularWeight: 395.446663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=O)C4=CC=CC=C4N3)F

InChI

InChI=1S/C23H23FN2O3/c1-29-22-9-8-15(11-19(22)24)23(28)16-5-4-10-26(13-16)14-17-12-21(27)18-6-2-3-7-20(18)25-17/h2-3,6-9,11-12,16H,4-5,10,13-14H2,1H3,(H,25,27)/p+1/t16-/m0/s1