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

Systemtic Name: (5-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-3-methyl-2-benzofuranyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H23ClN2O3/c1-15-19-13-18(24)3-5-21(19)29-22(15)23(27)26-9-7-25(8-10-26)14-16-2-4-20-17(12-16)6-11-28-20/h2-5,12-13H,6-11,14H2,1H3/p+1