2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropyl-trimethyl-azanium iodide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropyl-trimethyl-azanium iodide Openeye Name: 2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropyl-trimethyl-ammonium iodide CAS Name: 2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]propyl-trimethylammonium iodide IUPAC Name: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl-trimethylazanium iodide Traditional Name: 2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]propyl-trimethyl-ammonium iodide Formula: C20H23ClIN3OS MolecularWeight: 515.83859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(C[N+](C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3.[I-]

InChI

InChI=1S/C20H23ClN3OS.HI/c1-14(13-24(2,3)4)26-20-22-18-12-15(21)10-11-17(18)19(25)23(20)16-8-6-5-7-9-16;/h5-12,14H,13H2,1-4H3;1H/q+1;/p-1