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

Systemtic Name: N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CCCN5C=CC=N5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CCCN5C=CC=N5

InChI

InChI=1S/C22H26N6O3/c29-22(17-3-4-19-20(15-17)31-16-30-19)25-21-5-9-24-28(21)18-6-13-26(14-7-18)10-2-12-27-11-1-8-23-27/h1,3-5,8-9,11,15,18H,2,6-7,10,12-14,16H2,(H,25,29)/p+1