N-(2-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-bromophenyl)-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C22H24BrN2O4+ MolecularWeight: 460.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C22H23BrN2O4/c23-17-3-1-2-4-18(17)24-21(26)14-25-9-7-15(8-10-25)22(27)16-5-6-19-20(13-16)29-12-11-28-19/h1-6,13,15H,7-12,14H2,(H,24,26)/p+1