(1R)-1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3-phenyl-propan-1-ol

Systemtic Name: (1R)-1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3-phenyl-propan-1-ol Openeye Name: (1R)-1-[1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3-phenyl-propan-1-ol CAS Name: (1R)-1-[1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]-3-phenyl-1-propanol IUPAC Name: (1R)-1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3-phenylpropan-1-ol Traditional Name: (1R)-1-[1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3-phenyl-propan-1-ol Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(CCC2=CC=CC=C2)O)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1[C@@H](CCC2=CC=CC=C2)O)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H29N3O2/c30-23(11-10-19-6-2-1-3-7-19)20-12-14-29(15-13-20)18-22-17-27-28-26(22)25-16-21-8-4-5-9-24(21)31-25/h1-9,16-17,20,23,30H,10-15,18H2,(H,27,28)/p+1/t23-/m1/s1