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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-14(2)15(3)20-19(23)12-22-8-6-21(7-9-22)11-16-4-5-17-18(10-16)25-13-24-17/h4-5,10,14-15H,6-9,11-13H2,1-3H3,(H,20,23)/p+2/t15-/m0/s1