2-[piperidin-1-ium-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[piperidin-1-ium-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[piperidin-1-ium-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[1-piperidin-1-iumylidene-[4-(trifluoromethyl)phenyl]methyl]thio]acetic acid IUPAC Name: 2-[piperidin-1-ium-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[piperidin-1-ium-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]thio]acetic acid Formula: C15H17F3NO2S+ MolecularWeight: 332.36119

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C2=CC=C(C=C2)C(F)(F)F)SCC(=O)O)CC1

Isomeric SMILES

C1CC[N+](=C(C2=CC=C(C=C2)C(F)(F)F)SCC(=O)O)CC1

InChI

InChI=1S/C15H16F3NO2S/c16-15(17,18)12-6-4-11(5-7-12)14(22-10-13(20)21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2/p+1