4-[2-(4-butyl-3-oxidanylidene-4-phenyl-piperazin-4-ium-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-butyl-3-oxidanylidene-4-phenyl-piperazin-4-ium-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-(4-butyl-3-oxo-4-phenyl-piperazin-4-ium-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-(4-butyl-3-oxo-4-phenyl-1-piperazin-4-iumyl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-(4-butyl-3-oxo-4-phenylpiperazin-4-ium-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-(4-butyl-3-keto-4-phenyl-piperazin-4-ium-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1=O)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC=CC=C4

Isomeric SMILES

CCCC[N+]1(CCN(CC1=O)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N5O/c1-2-3-14-31(23-7-5-4-6-8-23)15-13-30(19-26(31)32)25(24-18-28-20-29-24)16-21-9-11-22(17-27)12-10-21/h4-12,18,20,25H,2-3,13-16,19H2,1H3,(H,28,29)/q+1