2-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H39N5O4+2 MolecularWeight: 461.59756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H37N5O4/c1-24(2,3)25-22(30)16-27-10-12-29(13-11-27)23(31)17-28-8-6-26(7-9-28)15-19-4-5-20-21(14-19)33-18-32-20/h4-5,14H,6-13,15-18H2,1-3H3,(H,25,30)/p+2