2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1,5-dimethylhexyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-6-methylheptan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H37N3O3+2 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3/c1-17(2)5-4-6-18(3)23-22(26)15-25-11-9-24(10-12-25)14-19-7-8-20-21(13-19)28-16-27-20/h7-8,13,17-18H,4-6,9-12,14-16H2,1-3H3,(H,23,26)/p+2/t18-/m0/s1