4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine

Systemtic Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Openeye Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine CAS Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]pyridine IUPAC Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Traditional Name: 4-[1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O2/c1-2-19-20(27-14-26-19)11-17(1)21-18(12-23-24-21)13-25-9-5-16(6-10-25)15-3-7-22-8-4-15/h1-4,7-8,11-12,16H,5-6,9-10,13-14H2,(H,23,24)/p+1