1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one Formula: C14H17N8OS+ MolecularWeight: 345.40278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C14H16N8OS/c23-14-21(17-18-22(14)12-3-1-10-24-12)11-19-6-8-20(9-7-19)13-15-4-2-5-16-13/h1-5,10H,6-9,11H2/p+1