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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[2-(4-methylphenoxy)ethyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[2-(4-methylphenoxy)ethyl]ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[2-(4-methylphenoxy)ethyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[2-(4-methylphenoxy)ethyl]azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-[2-(4-methylphenoxy)ethyl]ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+](C)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+](C)CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3/c1-15-3-6-18(7-4-15)25-10-9-24(2)13-17-12-22-23-21(17)16-5-8-19-20(11-16)27-14-26-19/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,23)/p+1