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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-3-17(4-2)22-20(24)14-23-9-7-15(8-10-23)21(25)16-5-6-18-19(13-16)27-12-11-26-18/h5-6,13,15,17H,3-4,7-12,14H2,1-2H3,(H,22,24)/p+1