[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](OC1)C[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O3/c1-2-5-18(6-3-1)25-14-17(12-23-13-19-7-4-10-26-19)22(24-25)16-8-9-20-21(11-16)28-15-27-20/h1-3,5-6,8-9,11,14,19,23H,4,7,10,12-13,15H2/p+1/t19-/m1/s1