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

Systemtic Name: 1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carbothioic S-acid Openeye Name: 1-(2-cyclohexyl-2-oxo-acetyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carbothioic S-acid CAS Name: 1-(2-cyclohexyl-1,2-dioxoethyl)-3-phenyl-1-propyl-2-pyrrolidin-1-iumcarbothioic S-acid IUPAC Name: 1-(2-cyclohexyl-2-oxoacetyl)-3-phenyl-1-propylpyrrolidin-1-ium-2-carbothioic S-acid Traditional Name: 1-(2-cyclohexyl-2-keto-acetyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carbothioic S-acid Formula: C22H30NO3S+ MolecularWeight: 388.5435

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)S)C2=CC=CC=C2)C(=O)C(=O)C3CCCCC3

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)S)C2=CC=CC=C2)C(=O)C(=O)C3CCCCC3

InChI

InChI=1S/C22H29NO3S/c1-2-14-23(21(25)20(24)17-11-7-4-8-12-17)15-13-18(19(23)22(26)27)16-9-5-3-6-10-16/h3,5-6,9-10,17-19H,2,4,7-8,11-15H2,1H3/p+1