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

Systemtic Name: 3-(2-fluorophenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-pyrazole Openeye Name: 3-(2-fluorophenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-pyrazole CAS Name: 3-(2-fluorophenyl)-4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-1-methylpyrazole IUPAC Name: 3-(2-fluorophenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methylpyrazole Traditional Name: 3-(2-fluorophenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-methyl-pyrazole Formula: C17H23FN3O+ MolecularWeight: 304.382423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCC(C3)COC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CC[C@@H](C3)COC

InChI

InChI=1S/C17H22FN3O/c1-20-10-14(11-21-8-7-13(9-21)12-22-2)17(19-20)15-5-3-4-6-16(15)18/h3-6,10,13H,7-9,11-12H2,1-2H3/p+1/t13-/m0/s1