1-methyl-1-[2-[(E)-4-methylpent-2-en-2-yl]thiophen-3-yl]-3-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid

Systemtic Name: 1-methyl-1-[2-[(E)-4-methylpent-2-en-2-yl]thiophen-3-yl]-3-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid Openeye Name: 1-[2-[(E)-1,3-dimethylbut-1-enyl]-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid CAS Name: 1-methyl-1-[2-[(E)-4-methylpent-2-en-2-yl]-3-thiophenyl]-3-(trifluoromethyl)-4-pyrazol-1-iumcarboxylic acid IUPAC Name: 1-methyl-1-[2-[(E)-4-methylpent-2-en-2-yl]thiophen-3-yl]-3-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid Traditional Name: 1-[2-[(E)-1,3-dimethylbut-1-enyl]-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazol-1-ium-4-carboxylic acid Formula: C16H18F3N2O2S+ MolecularWeight: 359.38653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=C(C)C1=C(C=CS1)[N+]2(C=C(C(=N2)C(F)(F)F)C(=O)O)C

Isomeric SMILES

CC(C)/C=C(\C)/C1=C(C=CS1)[N+]2(C=C(C(=N2)C(F)(F)F)C(=O)O)C

InChI

InChI=1S/C16H17F3N2O2S/c1-9(2)7-10(3)13-12(5-6-24-13)21(4)8-11(15(22)23)14(20-21)16(17,18)19/h5-9H,1-4H3/p+1/b10-7+