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

Systemtic Name: N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C22H24N5O3+ MolecularWeight: 406.45766

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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=CC=N5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=N5

InChI

InChI=1S/C22H23N5O3/c28-22(16-4-5-19-20(13-16)30-15-29-19)25-21-6-10-24-27(21)18-7-11-26(12-8-18)14-17-3-1-2-9-23-17/h1-6,9-10,13,18H,7-8,11-12,14-15H2,(H,25,28)/p+1