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

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C25H24N5O+ MolecularWeight: 410.49096

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)CC5=NC=CN=C5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)CC5=NC=CN=C5

InChI

InChI=1S/C25H23N5O/c1-29(18-22-14-26-11-12-27-22)16-21-17-30(15-19-7-3-2-4-8-19)28-25(21)24-13-20-9-5-6-10-23(20)31-24/h2-14,17H,15-16,18H2,1H3/p+1