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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC)OC

InChI

InChI=1S/C23H28N2O5/c1-27-20-14-22(29-3)21(28-2)13-18(20)23(26)25-9-7-24(8-10-25)15-16-4-5-19-17(12-16)6-11-30-19/h4-5,12-14H,6-11,15H2,1-3H3/p+1