[(1S)-1-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-pyrazol-1-ylethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-ethyl]ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2C=CC=N2)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2C=CC=N2)[NH3+])OC

InChI

InChI=1S/C13H17N3O2/c1-17-12-5-4-10(8-13(12)18-2)11(14)9-16-7-3-6-15-16/h3-8,11H,9,14H2,1-2H3/p+1/t11-/m1/s1