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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c1-28(13-14-29-12-11-26-19-29)17-22-18-30(16-20-7-3-2-4-8-20)27-25(22)24-15-21-9-5-6-10-23(21)31-24/h2-12,15,18-19H,13-14,16-17H2,1H3/p+1