2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C20H30N4O3+2 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3/c1-15(2)20(3,13-21)22-19(25)12-24-8-6-23(7-9-24)11-16-4-5-17-18(10-16)27-14-26-17/h4-5,10,15H,6-9,11-12,14H2,1-3H3,(H,22,25)/p+2/t20-/m0/s1