furan-2-ylmethyl-methyl-[[3-[4-oxidanylidene-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[[3-[4-oxidanylidene-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]azanium Openeye Name: 2-furylmethyl-methyl-[[3-[4-oxo-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium CAS Name: 2-furanylmethyl-methyl-[[3-[4-oxo-6-[2-(1-pyrazolyl)ethyl]-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[[3-[4-oxo-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: 2-furfuryl-[3-[4-keto-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]benzyl]-methyl-ammonium Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CCN3C=CC=N3)CC4=CC=CO4

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CCN3C=CC=N3)CC4=CC=CO4

InChI

InChI=1S/C22H23N5O2/c1-26(16-20-7-3-12-29-20)15-17-5-2-6-18(13-17)22-24-19(14-21(28)25-22)8-11-27-10-4-9-23-27/h2-7,9-10,12-14H,8,11,15-16H2,1H3,(H,24,25,28)/p+1