N-(2-piperidin-1-ium-4-ylpyrazol-3-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-piperidin-1-ium-4-ylpyrazol-3-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-piperidin-1-ium-4-ylpyrazol-3-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-piperidin-1-iumyl)-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-piperidin-1-ium-4-ylpyrazol-3-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-piperidin-1-ium-4-ylpyrazol-3-yl)-piperonylamide Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH2+]CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H18N4O3/c21-16(11-1-2-13-14(9-11)23-10-22-13)19-15-5-8-18-20(15)12-3-6-17-7-4-12/h1-2,5,8-9,12,17H,3-4,6-7,10H2,(H,19,21)/p+1