methyl-[[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: methyl-[[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: methyl-[[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: methyl-[[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: methyl-[[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: [2-(4-keto-6-propyl-1H-pyrimidin-2-yl)benzyl]-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CCN3C=CC=N3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CCN3C=CC=N3

InChI

InChI=1S/C20H25N5O/c1-3-7-17-14-19(26)23-20(22-17)18-9-5-4-8-16(18)15-24(2)12-13-25-11-6-10-21-25/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,22,23,26)/p+1