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

Systemtic Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(1-cyclooctyl-4-piperidin-1-iumyl)-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(1-cyclooctylpiperidin-1-ium-4-yl)pyrazol-3-yl]-piperonylamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCC(CCC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H32N4O3/c29-24(18-8-9-21-22(16-18)31-17-30-21)26-23-10-13-25-28(23)20-11-14-27(15-12-20)19-6-4-2-1-3-5-7-19/h8-10,13,16,19-20H,1-7,11-12,14-15,17H2,(H,26,29)/p+1