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

Systemtic Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H28N4O3/c1-31-23-5-3-2-4-21(23)25(30)27-24-8-12-26-29(24)20-9-13-28(14-10-20)17-18-6-7-22-19(16-18)11-15-32-22/h2-8,12,16,20H,9-11,13-15,17H2,1H3,(H,27,30)/p+1