2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(6-methoxybenzofuran-3-yl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(6-methoxy-3-benzofuranyl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(6-methoxybenzofuran-3-yl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N2O3S/c1-24-16-4-5-18-15(14-25-19(18)12-16)11-20(23)22-8-6-21(7-9-22)13-17-3-2-10-26-17/h2-5,10,12,14H,6-9,11,13H2,1H3/p+1