1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(1,2-dihydroacenaphthylen-5-ylthio)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone Traditional Name: 2-(acenaphthen-5-ylthio)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)SCC(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)SCC(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N2O3S/c29-25(16-32-24-9-7-20-6-5-19-2-1-3-21(24)26(19)20)28-12-10-27(11-13-28)15-18-4-8-22-23(14-18)31-17-30-22/h1-4,7-9,14H,5-6,10-13,15-17H2/p+1