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

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H26ClN2O4+ MolecularWeight: 417.90584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)Cl)OC

InChI

InChI=1S/C22H25ClN2O4/c1-27-20-13-17(12-18(23)21(20)28-2)22(26)25-8-6-24(7-9-25)14-15-3-4-19-16(11-15)5-10-29-19/h3-4,11-13H,5-10,14H2,1-2H3/p+1