N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=NN5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=NN5

InChI

InChI=1S/C20H22N6O3/c27-20(14-1-2-17-18(11-14)29-13-28-17)23-19-4-8-22-26(19)16-5-9-25(10-6-16)12-15-3-7-21-24-15/h1-4,7-8,11,16H,5-6,9-10,12-13H2,(H,21,24)(H,23,27)/p+1