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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H26N2O4/c1-17(2,3)19-16(21)11-20-8-6-18(22,7-9-20)13-4-5-14-15(10-13)24-12-23-14/h4-5,10,22H,6-9,11-12H2,1-3H3,(H,19,21)/p+1