[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-[(1-methylimidazol-2-yl)methyl]azanium

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-[(1-methylimidazol-2-yl)methyl]azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-[(1-methyl-2-imidazolyl)methyl]ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-methyl-[(1-methylimidazol-2-yl)methyl]azanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+](C)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

CN1C=CN=C1C[NH+](C)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c1-28(18-24-26-12-13-29(24)2)16-21-17-30(15-19-8-4-3-5-9-19)27-25(21)23-14-20-10-6-7-11-22(20)31-23/h3-14,17H,15-16,18H2,1-2H3/p+1