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

Systemtic Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H26N4O2/c29-24(19-4-2-1-3-5-19)26-23-8-12-25-28(23)21-9-13-27(14-10-21)17-18-6-7-22-20(16-18)11-15-30-22/h1-8,12,16,21H,9-11,13-15,17H2,(H,26,29)/p+1