1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioic S-acid

Systemtic Name: 1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioic S-acid Openeye Name: 1-(2-cyclohexyl-2-oxo-acetyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioic S-acid CAS Name: 1-(2-cyclohexyl-1,2-dioxoethyl)-3,3-diphenyl-1-propyl-2-pyrrolidin-1-iumcarbothioic S-acid IUPAC Name: 1-(2-cyclohexyl-2-oxoacetyl)-3,3-diphenyl-1-propylpyrrolidin-1-ium-2-carbothioic S-acid Traditional Name: 1-(2-cyclohexyl-2-keto-acetyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carbothioic S-acid Formula: C28H34NO3S+ MolecularWeight: 464.63946

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C4CCCCC4

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C4CCCCC4

InChI

InChI=1S/C28H33NO3S/c1-2-19-29(26(31)24(30)21-12-6-3-7-13-21)20-18-28(25(29)27(32)33,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h4-5,8-11,14-17,21,25H,2-3,6-7,12-13,18-20H2,1H3/p+1