trimethyl-[4-[3-oxidanylidene-2-[4-(trimethylazaniumyl)phenyl]butan-2-yl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[3-oxidanylidene-2-[4-(trimethylazaniumyl)phenyl]butan-2-yl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[1-methyl-2-oxo-1-[4-(trimethylammonio)phenyl]propyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[3-oxo-2-[4-(trimethylammonio)phenyl]butan-2-yl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[3-oxo-2-[4-(trimethylazaniumyl)phenyl]butan-2-yl]phenyl]azanium iodide Traditional Name: [4-[2-keto-1-methyl-1-[4-(trimethylammonio)phenyl]propyl]phenyl]-trimethyl-ammonium iodide Formula: C22H32IN2O+ MolecularWeight: 467.40675

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C1=CC=C(C=C1)[N+](C)(C)C)C2=CC=C(C=C2)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(=O)C(C)(C1=CC=C(C=C1)[N+](C)(C)C)C2=CC=C(C=C2)[N+](C)(C)C.[I-]

InChI

InChI=1S/C22H32N2O.HI/c1-17(25)22(2,18-9-13-20(14-10-18)23(3,4)5)19-11-15-21(16-12-19)24(6,7)8;/h9-16H,1-8H3;1H/q+2;/p-1