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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(4R)-2,2-dimethyloxan-4-yl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(4R)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[(4R)-2,2-dimethyl-4-oxanyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-[(4R)-2,2-dimethyloxan-4-yl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(4R)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C24H28N3O3+ MolecularWeight: 406.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C[C@@H](CCO1)[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C24H27N3O3/c1-24(2)13-19(10-11-30-24)25-14-18-15-27(20-6-4-3-5-7-20)26-23(18)17-8-9-21-22(12-17)29-16-28-21/h3-9,12,15,19,25H,10-11,13-14,16H2,1-2H3/p+1/t19-/m1/s1