2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H18N4O2S/c23-17(13-25-18-20-14-5-1-2-6-15(14)24-18)22-11-9-21(10-12-22)16-7-3-4-8-19-16/h1-8H,9-13H2/p+1