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

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C18H20N7OS+ MolecularWeight: 382.4627

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H19N7OS/c26-17(24-12-10-23(11-13-24)16-8-4-5-9-19-16)14-27-18-20-21-22-25(18)15-6-2-1-3-7-15/h1-9H,10-14H2/p+1