[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2,2-dimethyl-3-oxidanyl-propyl)azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2,2-dimethyl-3-oxidanyl-propyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-hydroxy-2,2-dimethyl-propyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(3-hydroxy-2,2-dimethylpropyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(3-hydroxy-2,2-dimethylpropyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-hydroxy-2,2-dimethyl-propyl)ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CO

Isomeric SMILES

CC(C)(C[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CO

InChI

InChI=1S/C22H25N3O3/c1-22(2,14-26)13-23-11-17-12-25(18-6-4-3-5-7-18)24-21(17)16-8-9-19-20(10-16)28-15-27-19/h3-10,12,23,26H,11,13-15H2,1-2H3/p+1