1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-isopropyl-piperazin-4-ium CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-isopropyl-piperazin-4-ium Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O2/c1-19(2)28-12-10-27(11-13-28)16-22-17-29(15-20-6-4-3-5-7-20)26-25(22)21-8-9-23-24(14-21)31-18-30-23/h3-9,14,17,19H,10-13,15-16,18H2,1-2H3/p+1