2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H26N4O4/c1-13-19(14(2)23(3)22-13)21-18(25)11-24-8-6-20(26,7-9-24)15-4-5-16-17(10-15)28-12-27-16/h4-5,10,26H,6-9,11-12H2,1-3H3,(H,21,25)/p+1