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

Systemtic Name: 2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-propan-2-yl-5-tetrazolyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-isopropyltetrazol-5-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C15H22N7OS+ MolecularWeight: 348.44648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H21N7OS/c1-12(2)22-15(17-18-19-22)24-11-14(23)21-9-7-20(8-10-21)13-5-3-4-6-16-13/h3-6,12H,7-11H2,1-2H3/p+1