2-imidazol-1-ylethyl-methyl-[[3-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]azanium

Systemtic Name: 2-imidazol-1-ylethyl-methyl-[[3-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]azanium Openeye Name: 2-imidazol-1-ylethyl-methyl-[[3-(4-oxo-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: 2-(1-imidazolyl)ethyl-methyl-[[3-[6-(4-oxanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: 2-imidazol-1-ylethyl-methyl-[[3-[6-(oxan-4-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: 2-imidazol-1-ylethyl-[3-(4-keto-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C22H28N5O2+ MolecularWeight: 394.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCOCC4

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCOCC4

InChI

InChI=1S/C22H27N5O2/c1-26(9-10-27-8-7-23-16-27)15-17-3-2-4-19(13-17)22-24-20(14-21(28)25-22)18-5-11-29-12-6-18/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,24,25,28)/p+1