5-(3-fluoranyl-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole

Systemtic Name: 5-(3-fluoranyl-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Openeye Name: 5-(3-fluoro-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole CAS Name: 5-(3-fluoro-4-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-1H-pyrazole IUPAC Name: 5-(3-fluoro-4-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Traditional Name: 5-(3-fluoro-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Formula: C17H23FN3O2+ MolecularWeight: 320.381823

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](C1)CC2=C(NN=C2)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC[C@H]1CC[NH+](C1)CC2=C(NN=C2)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C17H22FN3O2/c1-22-11-12-5-6-21(9-12)10-14-8-19-20-17(14)13-3-4-16(23-2)15(18)7-13/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,20)/p+1/t12-/m0/s1