diethyl-[(2S)-1-phenyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoylamino]propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-phenyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-phenyl-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]-diethyl-ammonium Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)CC2=C(N(N=C2C)C)C

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)CC2=C(N(N=C2C)C)C

InChI

InChI=1S/C21H32N4O/c1-6-25(7-2)19(13-18-11-9-8-10-12-18)15-22-21(26)14-20-16(3)23-24(5)17(20)4/h8-12,19H,6-7,13-15H2,1-5H3,(H,22,26)/p+1/t19-/m0/s1