2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H31N3O3+2 MolecularWeight: 349.46774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H29N3O3/c1-4-19(2,3)20-18(23)13-22-9-7-21(8-10-22)12-15-5-6-16-17(11-15)25-14-24-16/h5-6,11H,4,7-10,12-14H2,1-3H3,(H,20,23)/p+2