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

Systemtic Name: 4-[[4-(2-phenylmethoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-benzyloxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(2-phenylmethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-phenylmethoxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-benzoxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C26H26N3O2+ MolecularWeight: 412.50354

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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=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c27-18-21-10-12-22(13-11-21)19-28-14-16-29(17-15-28)26(30)24-8-4-5-9-25(24)31-20-23-6-2-1-3-7-23/h1-13H,14-17,19-20H2/p+1