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

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-(4-oxanylmethyl)ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCOCC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1CCOCC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O2/c1-28(16-21-11-13-30-14-12-21)18-23-19-29(17-20-7-3-2-4-8-20)27-26(23)25-15-22-9-5-6-10-24(22)31-25/h2-10,15,19,21H,11-14,16-18H2,1H3/p+1