2-phthalazin-1-ylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-phthalazin-1-ylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-phthalazin-1-ylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1-phthalazinylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-phthalazin-1-ylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(phthalazin-1-ylthio)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C19H19N5OS/c25-18(14-26-19-16-6-2-1-5-15(16)13-21-22-19)24-11-9-23(10-12-24)17-7-3-4-8-20-17/h1-8,13H,9-12,14H2/p+1