methyl-[(1-methylpyrazol-4-yl)methyl]-[[2-(4-oxidanylidene-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: methyl-[(1-methylpyrazol-4-yl)methyl]-[[2-(4-oxidanylidene-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: methyl-[(1-methylpyrazol-4-yl)methyl]-[[2-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: methyl-[(1-methyl-4-pyrazolyl)methyl]-[[2-[4-oxo-6-(4-piperidin-1-iumyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: methyl-[(1-methylpyrazol-4-yl)methyl]-[[2-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: [2-(4-keto-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C22H30N6O+2 MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+](C)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

Isomeric SMILES

CN1C=C(C=N1)C[NH+](C)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

InChI

InChI=1S/C22H28N6O/c1-27(13-16-12-24-28(2)14-16)15-18-5-3-4-6-19(18)22-25-20(11-21(29)26-22)17-7-9-23-10-8-17/h3-6,11-12,14,17,23H,7-10,13,15H2,1-2H3,(H,25,26,29)/p+2