3-(2-fluoranyl-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole

Systemtic Name: 3-(2-fluoranyl-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole Openeye Name: 3-(2-fluoro-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole CAS Name: 3-(2-fluoro-4-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-1-phenylpyrazole IUPAC Name: 3-(2-fluoro-4-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenylpyrazole Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](C1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

COC[C@H]1CC[NH+](C1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C23H26FN3O2/c1-28-16-17-10-11-26(13-17)14-18-15-27(19-6-4-3-5-7-19)25-23(18)21-9-8-20(29-2)12-22(21)24/h3-9,12,15,17H,10-11,13-14,16H2,1-2H3/p+1/t17-/m0/s1