N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carboxamide Formula: C22H26FN6O+ MolecularWeight: 409.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4F)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4F)C

InChI

InChI=1S/C22H25FN6O/c1-3-28-12-6-7-16(28)13-25-21(30)18-14-26-29(15(18)2)22-24-11-10-20(27-22)17-8-4-5-9-19(17)23/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,25,30)/p+1/t16-/m0/s1