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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-isopropylphenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: N-o-cumenyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3/c1-17(2)19-5-3-4-6-20(19)24-23(27)15-26-11-9-25(10-12-26)14-18-7-8-21-22(13-18)29-16-28-21/h3-8,13,17H,9-12,14-16H2,1-2H3,(H,24,27)/p+2