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

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl-methyl-[[2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl-[[2-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-4-pyrazolyl)methyl-methyl-[[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl-methyl-[[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-[2-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](C)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C(C)C)C

Isomeric SMILES

CC1=NN(C=C1C[NH+](C)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C(C)C)C

InChI

InChI=1S/C21H27N5O/c1-14(2)19-10-20(27)23-21(22-19)18-9-7-6-8-16(18)11-25(4)12-17-13-26(5)24-15(17)3/h6-10,13-14H,11-12H2,1-5H3,(H,22,23,27)/p+1