1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-(2,3,4-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC)OC

InChI

InChI=1S/C24H30N2O5/c1-28-21-7-5-19(23(29-2)24(21)30-3)15-22(27)26-11-9-25(10-12-26)16-17-4-6-20-18(14-17)8-13-31-20/h4-7,14H,8-13,15-16H2,1-3H3/p+1