1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3,3-diphenyl-1-propyl-2-pyrrolidin-1-iumcarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3,3-diphenyl-1-propylpyrrolidin-1-ium-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioate Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=S)[O-])(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCC(C1C(=S)[O-])(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C27H33NO3S/c1-5-18-28(24(30)23(29)26(3,4)6-2)19-17-27(22(28)25(31)32,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22H,5-6,17-19H2,1-4H3