2-[[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H25N4O3S+ MolecularWeight: 377.4811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3CCS(=O)(=O)C3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=NN(C(=C1)C2=CC=CC=C2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H24N4O3S/c1-21(2)10-9-19-18(23)16-12-17(14-6-4-3-5-7-14)22(20-16)15-8-11-26(24,25)13-15/h3-7,12,15H,8-11,13H2,1-2H3,(H,19,23)/p+1/t15-/m0/s1