[(3R,4R)-3-(3,5-dimethylpyrazol-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: [(3R,4R)-3-(3,5-dimethylpyrazol-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3R,4R)-3-(3,5-dimethylpyrazol-1-yl)chroman-4-yl]ammonium CAS Name: [(3R,4R)-3-(3,5-dimethyl-1-pyrazolyl)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3R,4R)-3-(3,5-dimethylpyrazol-1-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3R,4R)-3-(3,5-dimethylpyrazol-1-yl)chroman-4-yl]ammonium Formula: C14H18N3O+ MolecularWeight: 244.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2COC3=CC=CC=C3C2[NH3+])C

Isomeric SMILES

CC1=CC(=NN1[C@H]2COC3=CC=CC=C3[C@H]2[NH3+])C

InChI

InChI=1S/C14H17N3O/c1-9-7-10(2)17(16-9)12-8-18-13-6-4-3-5-11(13)14(12)15/h3-7,12,14H,8,15H2,1-2H3/p+1/t12-,14+/m0/s1