N-[2-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(3-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(3-fluorobenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C23H24FN4O3+ MolecularWeight: 423.460063

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C23H23FN4O3/c24-18-3-1-2-16(12-18)14-27-10-7-19(8-11-27)28-22(6-9-25-28)26-23(29)17-4-5-20-21(13-17)31-15-30-20/h1-6,9,12-13,19H,7-8,10-11,14-15H2,(H,26,29)/p+1