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

Systemtic Name: (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium Openeye Name: (2S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium CAS Name: (2S)-1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-2-[2-(1-pyrazolyl)ethyl]piperidin-1-ium IUPAC Name: (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium Traditional Name: (2S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCN2C=CC=N2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCN2C=CC=N2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H25N5O/c1-2-8-20-17(6-1)14-21(28-20)22-18(15-23-25-22)16-26-11-4-3-7-19(26)9-13-27-12-5-10-24-27/h1-2,5-6,8,10,12,14-15,19H,3-4,7,9,11,13,16H2,(H,23,25)/p+1/t19-/m0/s1