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

Systemtic Name: N-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-2-3-8-21-19(23)14-22-9-6-15(7-10-22)20(24)16-4-5-17-18(13-16)26-12-11-25-17/h4-5,13,15H,2-3,6-12,14H2,1H3,(H,21,23)/p+1