4-[[4-[2-[4-(phenylcarbonyl)phenoxy]ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[4-(phenylcarbonyl)phenoxy]ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-benzoylphenoxy)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-benzoylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-benzoylphenoxy)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-benzoylphenoxy)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c28-18-21-6-8-22(9-7-21)19-29-14-16-30(17-15-29)26(31)20-33-25-12-10-24(11-13-25)27(32)23-4-2-1-3-5-23/h1-13H,14-17,19-20H2/p+1