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

Systemtic Name: [(3S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone Openeye Name: [(3S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone CAS Name: [(3S)-1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [(3S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-ylmethanone Traditional Name: [(3S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone Formula: C23H23N4O2+ MolecularWeight: 387.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C23H22N4O2/c28-23(17-6-3-9-24-12-17)18-7-4-10-27(14-18)15-19-13-25-26-22(19)21-11-16-5-1-2-8-20(16)29-21/h1-3,5-6,8-9,11-13,18H,4,7,10,14-15H2,(H,25,26)/p+1/t18-/m0/s1