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

Systemtic Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C15H19N7OS+2 MolecularWeight: 345.42266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C15H17N7OS/c23-15-21(17-18-22(15)14-5-3-11-24-14)12-19-7-9-20(10-8-19)13-4-1-2-6-16-13/h1-6,11H,7-10,12H2/p+2