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

Systemtic Name: N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(5-ethyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O4/c1-2-18-4-5-19(31-18)14-26-11-8-17(9-12-26)27-22(7-10-24-27)25-23(28)16-3-6-20-21(13-16)30-15-29-20/h3-7,10,13,17H,2,8-9,11-12,14-15H2,1H3,(H,25,28)/p+1