N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C23H27FN3O4+ MolecularWeight: 428.476583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C23H26FN3O4/c1-16(28)17-2-4-20(19(24)14-17)27-10-8-26(9-11-27)7-6-23(29)25-18-3-5-21-22(15-18)31-13-12-30-21/h2-5,14-15H,6-13H2,1H3,(H,25,29)/p+1