5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide Formula: C26H31N4O4+ MolecularWeight: 463.54874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)[NH+]5CCCCC5

InChI

InChI=1S/C26H30N4O4/c1-32-20-8-5-18(6-9-20)22(30-11-3-2-4-12-30)17-27-26(31)21-16-28-29-25(21)19-7-10-23-24(15-19)34-14-13-33-23/h5-10,15-16,22H,2-4,11-14,17H2,1H3,(H,27,31)(H,28,29)/p+1/t22-/m0/s1