[2-[6-(methoxymethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [2-[6-(methoxymethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [2-[4-keto-6-(methoxymethyl)-1H-pyrimidin-2-yl]benzyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)COC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)COC

InChI

InChI=1S/C21H24N4O2/c1-25(12-10-17-8-5-6-11-22-17)14-16-7-3-4-9-19(16)21-23-18(15-27-2)13-20(26)24-21/h3-9,11,13H,10,12,14-15H2,1-2H3,(H,23,24,26)/p+1