3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-piperidin-1-ium-1-yl-butanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-4-piperidin-1-ium-1-yl-butanenitrile Openeye Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-piperidin-1-ium-1-yl-butanenitrile CAS Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-(1-piperidin-1-iumyl)butanenitrile IUPAC Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)-4-piperidin-1-ium-1-ylbutanenitrile Traditional Name: 3-keto-2-(4-keto-1H-quinazolin-2-ylidene)-4-piperidin-1-ium-1-yl-butyronitrile Formula: C17H19N4O2+ MolecularWeight: 311.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

InChI

InChI=1S/C17H18N4O2/c18-10-13(15(22)11-21-8-4-1-5-9-21)16-19-14-7-3-2-6-12(14)17(23)20-16/h2-3,6-7,19H,1,4-5,8-9,11H2,(H,20,23)/p+1