N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H23FN3O4+ MolecularWeight: 400.423423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)OCO2

InChI

InChI=1S/C21H22FN3O4/c1-14(26)17-10-19-20(29-13-28-19)11-18(17)23-21(27)12-24-6-8-25(9-7-24)16-4-2-15(22)3-5-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,27)/p+1