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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl-trimethyl-azanium iodide Openeye Name: 2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylethyl-trimethyl-ammonium iodide CAS Name: 2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl-trimethylammonium iodide IUPAC Name: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-trimethylazanium iodide Traditional Name: 2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]ethyl-trimethyl-ammonium iodide Formula: C19H21ClIN3OS MolecularWeight: 501.81201

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H21ClN3OS.HI/c1-23(2,3)11-12-25-19-21-17-13-14(20)9-10-16(17)18(24)22(19)15-7-5-4-6-8-15;/h4-10,13H,11-12H2,1-3H3;1H/q+1;/p-1