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

Systemtic Name: (2R)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)piperidin-1-ium Openeye Name: (2R)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)piperidin-1-ium CAS Name: (2R)-1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-2-(1-methyl-2-imidazolyl)piperidin-1-ium IUPAC Name: (2R)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)piperidin-1-ium Traditional Name: (2R)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)piperidin-1-ium Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2CCCC[NH+]2CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CN1C=CN=C1[C@H]2CCCC[NH+]2CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H23N5O/c1-25-11-9-22-21(25)17-7-4-5-10-26(17)14-16-13-23-24-20(16)19-12-15-6-2-3-8-18(15)27-19/h2-3,6,8-9,11-13,17H,4-5,7,10,14H2,1H3,(H,23,24)/p+1/t17-/m1/s1