2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-phenyl-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenylpyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-pyrazole-3-carboxamide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H29FN4O/c1-19-8-5-6-16-29(19)17-7-15-27-25(31)24-18-23(20-9-3-2-4-10-20)28-30(24)22-13-11-21(26)12-14-22/h2-4,9-14,18-19H,5-8,15-17H2,1H3,(H,27,31)/p+1/t19-/m0/s1