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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carboxamide Formula: C25H32FN6O+ MolecularWeight: 451.559583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN6O/c1-5-31-12-6-7-20(31)14-27-24(33)21-15-29-32(23(21)16(2)3)25-28-13-17(4)22(30-25)18-8-10-19(26)11-9-18/h8-11,13,15-16,20H,5-7,12,14H2,1-4H3,(H,27,33)/p+1/t20-/m0/s1