[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[(2R)-1-imidazol-1-yl-3,3-dimethyl-butan-2-yl]azanium

Systemtic Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[(2R)-1-imidazol-1-yl-3,3-dimethyl-butan-2-yl]azanium Openeye Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]ammonium CAS Name: [5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl-[(2R)-1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]ammonium IUPAC Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]azanium Traditional Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)[NH2+]CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)[C@H](CN1C=CN=C1)[NH2+]CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H25N5O/c1-21(2,3)19(13-26-9-8-22-14-26)23-11-16-12-24-25-20(16)18-10-15-6-4-5-7-17(15)27-18/h4-10,12,14,19,23H,11,13H2,1-3H3,(H,24,25)/p+1/t19-/m0/s1