3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]prop-2-ynyl-dimethyl-azanium

Systemtic Name: 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]prop-2-ynyl-dimethyl-azanium Openeye Name: 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2-thienyl]prop-2-ynyl-dimethyl-ammonium CAS Name: 3-[5-[1-(4-chlorophenyl)sulfonyl-3-pyrazolyl]-2-thiophenyl]prop-2-ynyl-dimethylammonium IUPAC Name: 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]prop-2-ynyl-dimethylazanium Traditional Name: 3-[5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2-thienyl]prop-2-ynyl-dimethyl-ammonium Formula: C18H17ClN3O2S2+ MolecularWeight: 406.92948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC#CC1=CC=C(S1)C2=NN(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CC#CC1=CC=C(S1)C2=NN(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-21(2)12-3-4-15-7-10-18(25-15)17-11-13-22(20-17)26(23,24)16-8-5-14(19)6-9-16/h5-11,13H,12H2,1-2H3/p+1