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

Systemtic Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C22H23N2O5+ MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H22N2O5/c25-21(16-5-6-19-20(13-16)28-12-11-27-19)15-7-9-23(10-8-15)14-24-17-3-1-2-4-18(17)29-22(24)26/h1-6,13,15H,7-12,14H2/p+1