[(1S)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethyl]ammonium CAS Name: [(1S)-2-(3,5-dimethyl-1-pyrazolyl)-1-(4-propoxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethyl]ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CN2C(=CC(=N2)C)C)[NH3+]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](CN2C(=CC(=N2)C)C)[NH3+]

InChI

InChI=1S/C16H23N3O/c1-4-9-20-15-7-5-14(6-8-15)16(17)11-19-13(3)10-12(2)18-19/h5-8,10,16H,4,9,11,17H2,1-3H3/p+1/t16-/m1/s1