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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H28N2O4/c23-19(21-16-4-2-1-3-5-16)13-22-10-8-20(24,9-11-22)15-6-7-17-18(12-15)26-14-25-17/h6-7,12,16,24H,1-5,8-11,13-14H2,(H,21,23)/p+1