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

Systemtic Name: 4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)butanenitrile Openeye Name: 4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile CAS Name: 4-(4-ethyl-1-piperazine-1,4-diiumyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile IUPAC Name: 4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile Traditional Name: 4-(4-ethylpiperazine-1,4-diium-1-yl)-3-keto-2-(4-keto-1H-quinazolin-2-ylidene)butyronitrile Formula: C18H23N5O2+2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-2-22-7-9-23(10-8-22)12-16(24)14(11-19)17-20-15-6-4-3-5-13(15)18(25)21-17/h3-6,20H,2,7-10,12H2,1H3,(H,21,25)/p+2