methyl-[[4-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]-(pyrazin-2-ylmethyl)azanium

Systemtic Name: methyl-[[4-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]-(pyrazin-2-ylmethyl)azanium Openeye Name: methyl-[[4-(4-oxo-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(pyrazin-2-ylmethyl)ammonium CAS Name: methyl-[[4-[6-(4-oxanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(2-pyrazinylmethyl)ammonium IUPAC Name: methyl-[[4-[6-(oxan-4-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(pyrazin-2-ylmethyl)azanium Traditional Name: [4-(4-keto-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C22H26N5O2+ MolecularWeight: 392.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=NC=CN=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=NC=CN=C4

InChI

InChI=1S/C22H25N5O2/c1-27(15-19-13-23-8-9-24-19)14-16-2-4-18(5-3-16)22-25-20(12-21(28)26-22)17-6-10-29-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11,14-15H2,1H3,(H,25,26,28)/p+1