1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[5-(3-thienyl)tetrazol-2-yl]ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-[5-(3-thiophenyl)-2-tetrazolyl]ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(5-thiophen-3-yltetrazol-2-yl)ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-[5-(3-thienyl)tetrazol-2-yl]ethanone Formula: C16H18N7OS+ MolecularWeight: 356.42542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3N=C(N=N3)C4=CSC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3N=C(N=N3)C4=CSC=C4

InChI

InChI=1S/C16H17N7OS/c24-15(11-23-19-16(18-20-23)13-4-10-25-12-13)22-8-6-21(7-9-22)14-3-1-2-5-17-14/h1-5,10,12H,6-9,11H2/p+1