diethyl-methyl-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl]azanium iodide

Systemtic Name: diethyl-methyl-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl]azanium iodide Openeye Name: diethyl-methyl-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylethyl]ammonium iodide CAS Name: diethyl-methyl-[2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]ammonium iodide IUPAC Name: diethyl-methyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl]azanium iodide Traditional Name: diethyl-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]ethyl]-methyl-ammonium iodide Formula: C21H26IN3OS MolecularWeight: 495.42011

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H26N3OS.HI/c1-4-24(3,5-2)15-16-26-21-22-19-14-10-9-13-18(19)20(25)23(21)17-11-7-6-8-12-17;/h6-14H,4-5,15-16H2,1-3H3;1H/q+1;/p-1