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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H30N4O4+2 MolecularWeight: 378.4659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4/c1-19(2,3)21-18(25)20-17(24)12-23-8-6-22(7-9-23)11-14-4-5-15-16(10-14)27-13-26-15/h4-5,10H,6-9,11-13H2,1-3H3,(H2,20,21,24,25)/p+2