[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-ethyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c1-2-28(13-14-29-12-6-11-26-29)17-22-18-30(16-20-7-4-3-5-8-20)27-25(22)21-9-10-23-24(15-21)32-19-31-23/h3-12,15,18H,2,13-14,16-17,19H2,1H3/p+1