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

Systemtic Name: 1-benzofuran-2-yl-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H22N2O3/c25-22(21-14-17-3-1-2-4-20(17)27-21)24-10-8-23(9-11-24)15-16-5-6-19-18(13-16)7-12-26-19/h1-6,13-14H,7-12,15H2/p+1