1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone CAS Name: 1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-(2,3,4-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(2-thenyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC)OC

InChI

InChI=1S/C20H26N2O4S/c1-24-17-7-6-15(19(25-2)20(17)26-3)13-18(23)22-10-8-21(9-11-22)14-16-5-4-12-27-16/h4-7,12H,8-11,13-14H2,1-3H3/p+1