[4-(2-phenylethynyl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(2-phenylethynyl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone CAS Name: [4-(2-phenylethynyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone Formula: C26H25N2O+ MolecularWeight: 381.4895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O/c29-26(28-19-17-27(18-20-28)21-24-9-5-2-6-10-24)25-15-13-23(14-16-25)12-11-22-7-3-1-4-8-22/h1-10,13-16H,17-21H2/p+1