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

Systemtic Name: 4-(3-methylpiperidin-1-ium-1-yl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)butanenitrile Openeye Name: 4-(3-methylpiperidin-1-ium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile CAS Name: 4-(3-methyl-1-piperidin-1-iumyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile IUPAC Name: 4-(3-methylpiperidin-1-ium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile Traditional Name: 3-keto-2-(4-keto-1H-quinazolin-2-ylidene)-4-(3-methylpiperidin-1-ium-1-yl)butyronitrile Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

Isomeric SMILES

CC1CCC[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

InChI

InChI=1S/C18H20N4O2/c1-12-5-4-8-22(10-12)11-16(23)14(9-19)17-20-15-7-3-2-6-13(15)18(24)21-17/h2-3,6-7,12,20H,4-5,8,10-11H2,1H3,(H,21,24)/p+1