1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=C(C=C4)OCC5

InChI

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