3-[(3R)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C22H30FN4O+ MolecularWeight: 385.498203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=C(NN=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=C(NN=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H29FN4O/c23-20-7-3-6-18(13-20)22-19(14-24-25-22)16-26-10-4-5-17(15-26)8-9-21(28)27-11-1-2-12-27/h3,6-7,13-14,17H,1-2,4-5,8-12,15-16H2,(H,24,25)/p+1/t17-/m1/s1