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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C19H24N4O4/c1-12-18(13(2)22-21-12)20-17(24)10-23-7-5-19(25,6-8-23)14-3-4-15-16(9-14)27-11-26-15/h3-4,9,25H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,22)/p+1