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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: N-[(2S)-2-phenylbutyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C24H33N3O3+2 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3/c1-2-20(21-6-4-3-5-7-21)15-25-24(28)17-27-12-10-26(11-13-27)16-19-8-9-22-23(14-19)30-18-29-22/h3-9,14,20H,2,10-13,15-18H2,1H3,(H,25,28)/p+2/t20-/m1/s1