2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-(4-isopropylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-p-cumenyl-acetamide Formula: C23H28N3O6+ MolecularWeight: 442.48492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+]4CCC(CC4)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+]4CCC(CC4)O

InChI

InChI=1S/C23H27N3O6/c1-14(2)15-3-5-16(6-4-15)24-23(28)22(25-9-7-17(27)8-10-25)18-11-20-21(32-13-31-20)12-19(18)26(29)30/h3-6,11-12,14,17,22,27H,7-10,13H2,1-2H3,(H,24,28)/p+1