2-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c30-25(28-15-5-2-6-16-28)21-27-17-19-29(20-18-27)26(31)24-13-11-23(12-14-24)10-9-22-7-3-1-4-8-22/h1,3-4,7-8,11-14H,2,5-6,15-21H2/p+1