phenyl-(1-phenyl-1,2-thiazolidin-1-ium-2-yl)methanone; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: phenyl-(1-phenyl-1,2-thiazolidin-1-ium-2-yl)methanone; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: phenyl-(1-phenylisothiazolidin-1-ium-2-yl)methanone; 2,2,2-trifluoroacetate CAS Name: phenyl-(1-phenyl-2-isothiazolidin-1-iumyl)methanone; 2,2,2-trifluoroacetate IUPAC Name: phenyl-(1-phenyl-1,2-thiazolidin-1-ium-2-yl)methanone; 2,2,2-trifluoroacetate Traditional Name: phenyl-(1-phenylisothiazolidin-1-ium-2-yl)methanone; 2,2,2-trifluoroacetate Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN([S+](C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1CN([S+](C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C16H16NOS.C2HF3O2/c18-16(14-8-3-1-4-9-14)17-12-7-13-19(17)15-10-5-2-6-11-15;3-2(4,5)1(6)7/h1-6,8-11H,7,12-13H2;(H,6,7)/q+1;/p-1