N-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]propionamide Formula: C22H26ClFN3O2+ MolecularWeight: 418.912143

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CCC(=O)NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CCC(=O)NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C22H25ClFN3O2/c23-18-2-3-20(19(24)14-18)25-22(28)5-7-26-8-10-27(11-9-26)15-16-1-4-21-17(13-16)6-12-29-21/h1-4,13-14H,5-12,15H2,(H,25,28)/p+1