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

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-[(1R)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-[(1R)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-[(1R)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-methyl-[(1R)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-[(1R)-1-(4-pyrimidyl)ethyl]ammonium Formula: C26H26N5O+ MolecularWeight: 424.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O/c1-19(23-12-13-27-18-28-23)30(2)16-22-17-31(15-20-8-4-3-5-9-20)29-26(22)25-14-21-10-6-7-11-24(21)32-25/h3-14,17-19H,15-16H2,1-2H3/p+1/t19-/m1/s1