1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-indan-5-yl-butane-1,4-dione CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-4-indan-5-yl-butane-1,4-dione Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H30N2O3/c29-24(22-6-5-20-2-1-3-21(20)17-22)7-9-26(30)28-13-11-27(12-14-28)18-19-4-8-25-23(16-19)10-15-31-25/h4-6,8,16-17H,1-3,7,9-15,18H2/p+1