[(2S)-3-ethoxy-3-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methyl]propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(N=C1)C2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CN(N=C1)C2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C15H19N3O2/c1-2-20-15(19)13(9-16)8-12-10-17-18(11-12)14-6-4-3-5-7-14/h3-7,10-11,13H,2,8-9,16H2,1H3/p+1/t13-/m0/s1