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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C13H18N7OS+ MolecularWeight: 320.39332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H17N7OS/c1-18-13(15-16-17-18)22-10-12(21)20-8-6-19(7-9-20)11-4-2-3-5-14-11/h2-5H,6-10H2,1H3/p+1