4-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(3S)-3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H29FN3O3+ MolecularWeight: 438.514463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCCC(C3)C(=O)C4=C(C=CC(=C4)F)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C(=O)C4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C25H28FN3O3/c1-17-22(25(31)29(27(17)2)20-9-5-4-6-10-20)16-28-13-7-8-18(15-28)24(30)21-14-19(26)11-12-23(21)32-3/h4-6,9-12,14,18H,7-8,13,15-16H2,1-3H3/p+1/t18-/m0/s1