3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C23H33N2O5+ MolecularWeight: 417.51852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H32N2O5/c1-16(26)15-23(2,3)24-21(27)8-11-25-9-6-17(7-10-25)22(28)18-4-5-19-20(14-18)30-13-12-29-19/h4-5,14,17H,6-13,15H2,1-3H3,(H,24,27)/p+1