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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[4-(2-phenylethynyl)phenyl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-(2-phenylethynyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(2-phenylethynyl)phenyl]methanone Formula: C32H29N2O+ MolecularWeight: 457.58546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C32H28N2O/c35-32(30-20-18-27(19-21-30)17-16-26-10-4-1-5-11-26)34-24-22-33(23-25-34)31(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-15,18-21,31H,22-25H2/p+1