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

Systemtic Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(1-cyclobutyl-4-piperidin-1-iumyl)-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(1-cyclobutylpiperidin-1-ium-4-yl)pyrazol-3-yl]-piperonylamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H24N4O3/c25-20(14-4-5-17-18(12-14)27-13-26-17)22-19-6-9-21-24(19)16-7-10-23(11-8-16)15-2-1-3-15/h4-6,9,12,15-16H,1-3,7-8,10-11,13H2,(H,22,25)/p+1