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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C15H20N7OS+ MolecularWeight: 346.4306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C15H19N7OS/c23-14(11-24-15-17-18-19-22(15)12-4-5-12)21-9-7-20(8-10-21)13-3-1-2-6-16-13/h1-3,6,12H,4-5,7-11H2/p+1