2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyronitrile Formula: C19H20N7O+ MolecularWeight: 362.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=NC=CC=N4

InChI

InChI=1S/C19H19N7O/c20-12-14(18-23-15-4-1-2-5-16(15)24-18)17(27)13-25-8-10-26(11-9-25)19-21-6-3-7-22-19/h1-7,23-24H,8-11,13H2/p+1