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

Systemtic Name: N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(2R)-1-phenoxypropan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](COC1=CC=CC=C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O4/c1-18(16-31-21-5-3-2-4-6-21)28-13-10-20(11-14-28)29-24(9-12-26-29)27-25(30)19-7-8-22-23(15-19)33-17-32-22/h2-9,12,15,18,20H,10-11,13-14,16-17H2,1H3,(H,27,30)/p+1/t18-/m1/s1