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

Systemtic Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-yl-piperazin-1-ium Openeye Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(4-pyridyl)piperazin-1-ium CAS Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-ylpiperazin-1-ium IUPAC Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-ylpiperazin-1-ium Traditional Name: 1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-4-(4-pyridyl)piperazin-1-ium Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

InChI

InChI=1S/C20H21N5O2/c1-2-18-19(27-14-26-18)11-15(1)20-16(12-22-23-20)13-24-7-9-25(10-8-24)17-3-5-21-6-4-17/h1-6,11-12H,7-10,13-14H2,(H,22,23)/p+1