1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-methoxyphenoxy)butan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-methoxyphenoxy)butan-1-one Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-28-21-5-7-22(8-6-21)29-15-2-3-24(27)26-13-11-25(12-14-26)18-19-4-9-23-20(17-19)10-16-30-23/h4-9,17H,2-3,10-16,18H2,1H3/p+1