1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid

Systemtic Name: 1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid Openeye Name: 1-(2-cyclohexyl-2-oxo-acetyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid CAS Name: 1-(2-cyclohexyl-1,2-dioxoethyl)-1-ethyl-2-phenyl-2-pyrrolidin-1-iumcarbothioic S-acid IUPAC Name: 1-(2-cyclohexyl-2-oxoacetyl)-1-ethyl-2-phenylpyrrolidin-1-ium-2-carbothioic S-acid Traditional Name: 1-(2-cyclohexyl-2-keto-acetyl)-1-ethyl-2-phenyl-pyrrolidin-1-ium-2-carbothioic S-acid Formula: C21H28NO3S+ MolecularWeight: 374.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1(C2=CC=CC=C2)C(=O)S)C(=O)C(=O)C3CCCCC3

Isomeric SMILES

CC[N+]1(CCCC1(C2=CC=CC=C2)C(=O)S)C(=O)C(=O)C3CCCCC3

InChI

InChI=1S/C21H27NO3S/c1-2-22(19(24)18(23)16-10-5-3-6-11-16)15-9-14-21(22,20(25)26)17-12-7-4-8-13-17/h4,7-8,12-13,16H,2-3,5-6,9-11,14-15H2,1H3/p+1