[5-(2-phenylethynyl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-(2-phenylethynyl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(2-phenylethynyl)-2-furyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-(2-phenylethynyl)-2-furanyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [5-(2-phenylethynyl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(2-phenylethynyl)-2-furyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H20N3O2+ MolecularWeight: 358.4131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)20-12-11-19(27-20)10-9-18-6-2-1-3-7-18/h1-8,11-13H,14-17H2/p+1