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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)-2-furyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[5-(phenoxymethyl)-2-furanyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)-2-furyl]methanone Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(O4)COC5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(O4)COC5=CC=CC=C5

InChI

InChI=1S/C25H26N2O4/c28-25(24-9-7-22(31-24)18-30-21-4-2-1-3-5-21)27-13-11-26(12-14-27)17-19-6-8-23-20(16-19)10-15-29-23/h1-9,16H,10-15,17-18H2/p+1