1-(2-cyclopentyl-2-oxidanylidene-ethanoyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioate

Systemtic Name: 1-(2-cyclopentyl-2-oxidanylidene-ethanoyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioate Openeye Name: 1-(2-cyclopentyl-2-oxo-acetyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioate CAS Name: 1-(2-cyclopentyl-1,2-dioxoethyl)-1-ethyl-2-phenyl-2-pyrrolidin-1-iumcarbothioate IUPAC Name: 1-(2-cyclopentyl-2-oxoacetyl)-1-ethyl-2-phenylpyrrolidin-1-ium-2-carbothioate Traditional Name: 1-(2-cyclopentyl-2-keto-acetyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioate Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1(C2=CC=CC=C2)C(=S)[O-])C(=O)C(=O)C3CCCC3

Isomeric SMILES

CC[N+]1(CCCC1(C2=CC=CC=C2)C(=S)[O-])C(=O)C(=O)C3CCCC3

InChI

InChI=1S/C20H25NO3S/c1-2-21(18(23)17(22)15-9-6-7-10-15)14-8-13-20(21,19(24)25)16-11-4-3-5-12-16/h3-5,11-12,15H,2,6-10,13-14H2,1H3