1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C24H27N4O4S+ MolecularWeight: 467.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O4S/c1-30-20-5-3-19(4-6-20)28-9-8-25-24(28)33-16-23(29)27-12-10-26(11-13-27)15-18-2-7-21-22(14-18)32-17-31-21/h2-9,14H,10-13,15-17H2,1H3/p+1