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

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-(1-piperidin-1-iumyl)-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-N-p-cumenyl-2-piperidin-1-ium-1-yl-acetamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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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+]4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O5/c1-15(2)16-6-8-17(9-7-16)24-23(27)22(25-10-4-3-5-11-25)18-12-20-21(31-14-30-20)13-19(18)26(28)29/h6-9,12-13,15,22H,3-5,10-11,14H2,1-2H3,(H,24,27)/p+1