4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzoylpiperazin-1-ium-1-yl)ethoxy]benzonitrile CAS Name: 4-[2-(4-benzoyl-1-piperazin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 4-[2-(4-benzoylpiperazin-1-ium-1-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(4-benzoylpiperazin-1-ium-1-yl)ethoxy]benzonitrile Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c21-16-17-6-8-19(9-7-17)25-15-14-22-10-12-23(13-11-22)20(24)18-4-2-1-3-5-18/h1-9H,10-15H2/p+1