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

Systemtic Name: [(1S)-1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-ethoxy-2-oxidanylidene-ethyl]azanium Openeye Name: [(1S)-1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-ethoxy-2-oxo-ethyl]ammonium CAS Name: [(1S)-1-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-ethoxy-2-oxoethyl]ammonium IUPAC Name: [(1S)-1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-ethoxy-2-oxoethyl]azanium Traditional Name: [(1S)-1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-ethoxy-2-keto-ethyl]ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)CC2=CC=CC=C2)C)[NH3+]

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)CC2=CC=CC=C2)C)[NH3+]

InChI

InChI=1S/C16H21N3O2/c1-4-21-16(20)15(17)14-11(2)18-19(12(14)3)10-13-8-6-5-7-9-13/h5-9,15H,4,10,17H2,1-3H3/p+1/t15-/m0/s1