[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(5-fluoranyl-2-methoxy-phenyl)methanone

Systemtic Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(5-fluoranyl-2-methoxy-phenyl)methanone Openeye Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(5-fluoro-2-methoxy-phenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(5-fluoro-2-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(5-fluoro-2-methoxyphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(5-fluoro-2-methoxy-phenyl)methanone Formula: C19H25FN3O2+ MolecularWeight: 346.419103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C19H24FN3O2/c1-3-23-12-14(10-21-23)11-22-8-4-5-15(13-22)19(24)17-9-16(20)6-7-18(17)25-2/h6-7,9-10,12,15H,3-5,8,11,13H2,1-2H3/p+1/t15-/m0/s1