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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

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