2-(3,5-dimethylpyrazol-1-yl)ethyl-[[3-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-methyl-azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[3-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-methyl-azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[3-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-methyl-ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[[3-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-methylammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[3-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-methylazanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[3-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+](C)CCN3C(=CC(=N3)C)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+](C)CCN3C(=CC(=N3)C)C)C

InChI

InChI=1S/C22H29N5O/c1-6-20-17(4)23-21(24-22(20)28)19-9-7-8-18(13-19)14-26(5)10-11-27-16(3)12-15(2)25-27/h7-9,12-13H,6,10-11,14H2,1-5H3,(H,23,24,28)/p+1