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

Systemtic Name: 2-imidazol-1-ylethyl-methyl-[[2-(4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: 2-imidazol-1-ylethyl-methyl-[[2-[4-oxo-6-(3-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium CAS Name: 2-(1-imidazolyl)ethyl-methyl-[[2-[4-oxo-6-(3-pyridinyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: 2-imidazol-1-ylethyl-methyl-[[2-(4-oxo-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: 2-imidazol-1-ylethyl-[2-[4-keto-6-(3-pyridyl)-1H-pyrimidin-2-yl]benzyl]-methyl-ammonium Formula: C22H23N6O+ MolecularWeight: 387.45762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CN=CC=C4

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C22H22N6O/c1-27(11-12-28-10-9-24-16-28)15-18-5-2-3-7-19(18)22-25-20(13-21(29)26-22)17-6-4-8-23-14-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,25,26,29)/p+1