2-[[2-(2-chlorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(2-chlorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2-chlorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(2-chlorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2-chlorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2-chlorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H20ClN4OS+ MolecularWeight: 375.8956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CS3

InChI

InChI=1S/C18H19ClN4OS/c1-22(2)10-9-20-18(24)16-12-14(17-8-5-11-25-17)21-23(16)15-7-4-3-6-13(15)19/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)/p+1