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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl-diethyl-methyl-azanium iodide Openeye Name: 2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium iodide Traditional Name: 2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]ethyl-diethyl-methyl-ammonium iodide Formula: C21H25ClIN3OS MolecularWeight: 529.86517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN3OS.HI/c1-4-25(3,5-2)13-14-27-21-23-19-15-16(22)11-12-18(19)20(26)24(21)17-9-7-6-8-10-17;/h6-12,15H,4-5,13-14H2,1-3H3;1H/q+1;/p-1