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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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