heptan-4-yl-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]azanium iodide

Systemtic Name: heptan-4-yl-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]azanium iodide Openeye Name: 2-(4-oxoquinazolin-3-yl)ethyl-(1-propylbutyl)ammonium iodide CAS Name: heptan-4-yl-[2-(4-oxo-3-quinazolinyl)ethyl]ammonium iodide IUPAC Name: heptan-4-yl-[2-(4-oxoquinazolin-3-yl)ethyl]azanium iodide Traditional Name: 2-(4-ketoquinazolin-3-yl)ethyl-(1-propylbutyl)ammonium iodide Formula: C17H26IN3O MolecularWeight: 415.31231

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CCN1C=NC2=CC=CC=C2C1=O.[I-]

Isomeric SMILES

CCCC(CCC)[NH2+]CCN1C=NC2=CC=CC=C2C1=O.[I-]

InChI

InChI=1S/C17H25N3O.HI/c1-3-7-14(8-4-2)18-11-12-20-13-19-16-10-6-5-9-15(16)17(20)21;/h5-6,9-10,13-14,18H,3-4,7-8,11-12H2,1-2H3;1H