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

Systemtic Name: [(1S)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3/c1-12-17(22(24)25)13(2)21(19-12)11-16(23)18-10-15(20(3)4)14-8-6-5-7-9-14/h5-9,15H,10-11H2,1-4H3,(H,18,23)/p+1/t15-/m1/s1