[(2S)-1,4-dioxan-2-yl]methyl-methyl-[[4-(4-oxidanylidene-6-pyridin-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[4-(4-oxidanylidene-6-pyridin-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[4-[4-oxo-6-(2-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium CAS Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[4-[4-oxo-6-(2-pyridinyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: [(2S)-1,4-dioxan-2-yl]methyl-methyl-[[4-(4-oxo-6-pyridin-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: [(2S)-1,4-dioxan-2-yl]methyl-[4-[4-keto-6-(2-pyridyl)-1H-pyrimidin-2-yl]benzyl]-methyl-ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COCCO1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=CC=N4

Isomeric SMILES

C[NH+](C[C@H]1COCCO1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=CC=N4

InChI

InChI=1S/C22H24N4O3/c1-26(14-18-15-28-10-11-29-18)13-16-5-7-17(8-6-16)22-24-20(12-21(27)25-22)19-4-2-3-9-23-19/h2-9,12,18H,10-11,13-15H2,1H3,(H,24,25,27)/p+1/t18-/m0/s1