N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5

InChI

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