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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(2-cyclopentyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H29N5O3/c28-22(24-21-7-8-23-27(21)18-3-1-2-4-18)15-26-11-9-25(10-12-26)14-17-5-6-19-20(13-17)30-16-29-19/h5-8,13,18H,1-4,9-12,14-16H2,(H,24,28)/p+1