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

Systemtic Name: 2-[[2-(3-chlorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3-chlorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(3-chlorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3-chlorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(3-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=C2)Cl)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)Cl)C3=CC=CS3

InChI

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