trimethyl-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]azanium iodide

Systemtic Name: trimethyl-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]azanium iodide Openeye Name: trimethyl-[2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylethyl]ammonium iodide CAS Name: trimethyl-[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]ethyl]ammonium iodide IUPAC Name: trimethyl-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium iodide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]ethyl-trimethyl-ammonium iodide Formula: C20H24IN3OS MolecularWeight: 481.39353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[N+](C)(C)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C20H24N3OS.HI/c1-15-9-11-16(12-10-15)22-19(24)17-7-5-6-8-18(17)21-20(22)25-14-13-23(2,3)4;/h5-12H,13-14H2,1-4H3;1H/q+1;/p-1