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

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-2-phenyl-acetamide 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)C(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c23-22(26)20(15-4-2-1-3-5-15)24-10-8-16(9-11-24)21(25)17-6-7-18-19(14-17)28-13-12-27-18/h1-7,14,16,20H,8-13H2,(H2,23,26)/p+1/t20-/m1/s1