1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidin-1-ium

Systemtic Name: 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidin-1-ium Openeye Name: 1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidin-1-ium CAS Name: 1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidin-1-ium IUPAC Name: 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidin-1-ium Traditional Name: 1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidin-1-ium Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC=C1OC2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H25N3O3/c1-28-21-8-4-5-9-22(21)29-19-10-12-27(13-11-19)16-18-15-25-26-24(18)23-14-17-6-2-3-7-20(17)30-23/h2-9,14-15,19H,10-13,16H2,1H3,(H,25,26)/p+1