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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C18H26N4O/c1-13-16(14(2)22(5)20-13)11-18(23)19-12-17(21(3)4)15-9-7-6-8-10-15/h6-10,17H,11-12H2,1-5H3,(H,19,23)/p+1/t17-/m1/s1