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

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-(oxan-4-yl)azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-tetrahydropyran-4-yl-ammonium Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)C5CCOCC5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4)C5CCOCC5

InChI

InChI=1S/C25H27N3O2/c1-27(22-11-13-29-14-12-22)17-21-18-28(16-19-7-3-2-4-8-19)26-25(21)24-15-20-9-5-6-10-23(20)30-24/h2-10,15,18,22H,11-14,16-17H2,1H3/p+1