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

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H22ClN2O3+ MolecularWeight: 397.87468

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C22H21ClN2O3/c23-18-2-4-20-17(12-18)13-21(28-20)22(26)25-8-6-24(7-9-25)14-15-1-3-19-16(11-15)5-10-27-19/h1-4,11-13H,5-10,14H2/p+1