[3-(2-phenylethynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(2-phenylethynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(2-phenylethynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(2-phenylethynyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(2-phenylethynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(2-phenylethynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H22N3O+ MolecularWeight: 368.45098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O/c28-24(27-17-15-26(16-18-27)23-11-4-5-14-25-23)22-10-6-9-21(19-22)13-12-20-7-2-1-3-8-20/h1-11,14,19H,15-18H2/p+1