[1-[[4-[4-oxidanylidene-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]piperidin-1-ium-4-yl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C[NH3+])CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C[NH3+])CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

InChI

InChI=1S/C22H28N6O/c23-15-17-6-11-27(12-7-17)16-18-2-4-19(5-3-18)22-25-20(14-21(29)26-22)8-13-28-10-1-9-24-28/h1-5,9-10,14,17H,6-8,11-13,15-16,23H2,(H,25,26,29)/p+2