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

Systemtic Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H28N4O2/c30-25(17-19-4-2-1-3-5-19)27-24-8-12-26-29(24)22-9-13-28(14-10-22)18-20-6-7-23-21(16-20)11-15-31-23/h1-8,12,16,22H,9-11,13-15,17-18H2,(H,27,30)/p+1