2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-indan-5-ylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(indan-5-ylthio)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N3OS/c24-20(15-25-18-8-7-16-4-3-5-17(16)14-18)23-12-10-22(11-13-23)19-6-1-2-9-21-19/h1-2,6-9,14H,3-5,10-13,15H2/p+1