2-[4-[2-(2-fluorophenyl)ethyl-dimethyl-azaniumyl]piperidin-1-yl]-2-oxidanylidene-1,1-dithiophen-2-yl-ethanolate

Systemtic Name: 2-[4-[2-(2-fluorophenyl)ethyl-dimethyl-azaniumyl]piperidin-1-yl]-2-oxidanylidene-1,1-dithiophen-2-yl-ethanolate Openeye Name: 2-[4-[2-(2-fluorophenyl)ethyl-dimethyl-ammonio]-1-piperidyl]-2-oxo-1,1-bis(2-thienyl)ethanolate CAS Name: 2-[4-[2-(2-fluorophenyl)ethyl-dimethylammonio]-1-piperidinyl]-2-oxo-1,1-dithiophen-2-ylethanolate IUPAC Name: 2-[4-[2-(2-fluorophenyl)ethyl-dimethylazaniumyl]piperidin-1-yl]-2-oxo-1,1-dithiophen-2-ylethanolate Traditional Name: 2-[4-[2-(2-fluorophenyl)ethyl-dimethyl-ammonio]piperidino]-2-keto-1,1-bis(2-thienyl)ethanolate Formula: C25H29FN2O2S2 MolecularWeight: 472.638363

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=CC=C1F)C2CCN(CC2)C(=O)C(C3=CC=CS3)(C4=CC=CS4)[O-]

Isomeric SMILES

C[N+](C)(CCC1=CC=CC=C1F)C2CCN(CC2)C(=O)C(C3=CC=CS3)(C4=CC=CS4)[O-]

InChI

InChI=1S/C25H29FN2O2S2/c1-28(2,16-13-19-7-3-4-8-21(19)26)20-11-14-27(15-12-20)24(29)25(30,22-9-5-17-31-22)23-10-6-18-32-23/h3-10,17-18,20H,11-16H2,1-2H3