2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(4-benzoyl-1-piperazin-1-iumyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c23-14-17(21-24-18-8-4-5-9-19(18)25-21)20(28)15-26-10-12-27(13-11-26)22(29)16-6-2-1-3-7-16/h1-9,24-25H,10-13,15H2/p+1