2-[[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2,4-dimethylphenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+](C)C)C

InChI

InChI=1S/C20H24N4OS/c1-14-7-8-17(15(2)12-14)24-18(20(25)21-9-10-23(3)4)13-16(22-24)19-6-5-11-26-19/h5-8,11-13H,9-10H2,1-4H3,(H,21,25)/p+1