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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CC=CC=N2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CC=CC=N2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

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