[(1S)-1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-ethoxy-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(1S)-1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-ethoxy-2-oxidanylidene-ethyl]azanium Openeye Name: [(1S)-1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-ethoxy-2-oxo-ethyl]ammonium CAS Name: [(1S)-1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-ethoxy-2-oxoethyl]ammonium IUPAC Name: [(1S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-2-oxoethyl]azanium Traditional Name: [(1S)-1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-ethoxy-2-keto-ethyl]ammonium Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)C2=CC=CC=C2)C)[NH3+]

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)C2=CC=CC=C2)C)[NH3+]

InChI

InChI=1S/C15H19N3O2/c1-4-20-15(19)14(16)13-10(2)17-18(11(13)3)12-8-6-5-7-9-12/h5-9,14H,4,16H2,1-3H3/p+1/t14-/m0/s1