4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)butanenitrile

Systemtic Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)butanenitrile Openeye Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile CAS Name: 4-(4-methyl-1-piperazine-1,4-diiumyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile IUPAC Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile Traditional Name: 3-keto-2-(4-keto-1H-quinazolin-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)butyronitrile Formula: C17H21N5O2+2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

InChI

InChI=1S/C17H19N5O2/c1-21-6-8-22(9-7-21)11-15(23)13(10-18)16-19-14-5-3-2-4-12(14)17(24)20-16/h2-5,19H,6-9,11H2,1H3,(H,20,24)/p+2