1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-ethyl-2-phenyl-2-pyrrolidin-1-iumcarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-ethyl-2-phenylpyrrolidin-1-ium-2-carbothioate Traditional Name: 1-ethyl-1-(2-keto-3,3-dimethyl-pentanoyl)-2-phenyl-pyrrolidin-1-ium-2-carbothioate Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3S/c1-5-19(3,4)16(22)17(23)21(6-2)14-10-13-20(21,18(24)25)15-11-8-7-9-12-15/h7-9,11-12H,5-6,10,13-14H2,1-4H3