N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C25H27N4O4+ MolecularWeight: 447.50628

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCC6

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCC6

InChI

InChI=1S/C25H26N4O4/c30-25(19-2-4-22-23(14-19)33-16-32-22)27-24-5-9-26-29(24)20-6-10-28(11-7-20)15-17-1-3-21-18(13-17)8-12-31-21/h1-5,9,13-14,20H,6-8,10-12,15-16H2,(H,27,30)/p+1