4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]benzamide Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H24N2O4/c23-22(26)17-3-1-15(2-4-17)14-24-9-7-16(8-10-24)21(25)18-5-6-19-20(13-18)28-12-11-27-19/h1-6,13,16H,7-12,14H2,(H2,23,26)/p+1