4-[[4-[2-(phenylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(phenylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-benzylbenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(phenylmethyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-benzylbenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-benzylbenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C26H26N3O+ MolecularWeight: 396.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O/c27-19-22-10-12-23(13-11-22)20-28-14-16-29(17-15-28)26(30)25-9-5-4-8-24(25)18-21-6-2-1-3-7-21/h1-13H,14-18,20H2/p+1