[2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (2,6-dioxohexahydropyrimidin-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (2,6-dioxo-1,3-diazinan-1-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (2,6-dioxo-1,3-diazinan-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (2,6-diketohexahydropyrimidin-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)CCNC3=O

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)CCNC3=O

InChI

InChI=1S/C16H19N5O2/c1-19(12-20-15(22)7-8-17-16(20)23)10-13-9-18-21(11-13)14-5-3-2-4-6-14/h2-6,9,11H,7-8,10,12H2,1H3,(H,17,23)/p+1