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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-dimethyl-ammonium Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2/c1-22(2)12-17-13-23(11-15-6-4-3-5-7-15)21-20(17)16-8-9-18-19(10-16)25-14-24-18/h3-10,13H,11-12,14H2,1-2H3/p+1