methyl-[[3-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: methyl-[[3-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: methyl-[[3-(4-oxo-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: methyl-[[3-[6-(4-oxanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: methyl-[[3-[6-(oxan-4-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [3-(4-keto-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=NN4

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=NN4

InChI

InChI=1S/C21H25N5O2/c1-26(14-18-5-8-22-25-18)13-15-3-2-4-17(11-15)21-23-19(12-20(27)24-21)16-6-9-28-10-7-16/h2-5,8,11-12,16H,6-7,9-10,13-14H2,1H3,(H,22,25)(H,23,24,27)/p+1