2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O3/c1-18-13-23(29(26-18)20-5-3-2-4-6-20)25-24(30)16-28-11-9-27(10-12-28)15-19-7-8-21-22(14-19)32-17-31-21/h2-8,13-14H,9-12,15-17H2,1H3,(H,25,30)/p+1