N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-piperonylamide Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCC[NH+]1CCC(CC1)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N2O4/c1-21-9-8-19-6-4-13(5-7-19)11-18-17(20)14-2-3-15-16(10-14)23-12-22-15/h2-3,10,13H,4-9,11-12H2,1H3,(H,18,20)/p+1