N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-[1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide Formula: C22H28FN6O+ MolecularWeight: 411.495723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H27FN6O/c1-3-28-15-18(16(2)26-28)14-27-11-8-20(9-12-27)29-21(7-10-24-29)25-22(30)17-5-4-6-19(23)13-17/h4-7,10,13,15,20H,3,8-9,11-12,14H2,1-2H3,(H,25,30)/p+1