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

Systemtic Name: [(1S)-2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C24H30N4O/c1-18-22(19(2)28(26-18)21-13-9-6-10-14-21)15-16-24(29)25-17-23(27(3)4)20-11-7-5-8-12-20/h5-14,23H,15-17H2,1-4H3,(H,25,29)/p+1/t23-/m1/s1