3-[(2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H22N4O/c1-2-9-20-16(6-1)12-21(27-20)22-18(14-24-25-22)15-26-11-4-3-8-19(26)17-7-5-10-23-13-17/h1-2,5-7,9-10,12-14,19H,3-4,8,11,15H2,(H,24,25)/p+1/t19-/m0/s1