trimethyl-[2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]carbonylamino]ethyl]azanium iodide

Systemtic Name: trimethyl-[2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]carbonylamino]ethyl]azanium iodide Openeye Name: trimethyl-[2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carbonyl]amino]ethyl]ammonium iodide CAS Name: trimethyl-[2-[[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]-oxomethyl]amino]ethyl]ammonium iodide IUPAC Name: trimethyl-[2-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carbonyl]amino]ethyl]azanium iodide Traditional Name: trimethyl-[2-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carbonyl]amino]ethyl]ammonium iodide Formula: C23H26IN5O3 MolecularWeight: 547.38871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCC[N+](C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCC[N+](C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H25N5O3.HI/c1-16-20(23(29)24-13-14-28(2,3)4)21(18-11-8-12-19(15-18)27(30)31)26-22(25-16)17-9-6-5-7-10-17;/h5-12,15H,13-14H2,1-4H3;1H