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

Systemtic Name: 1-ethyl-1-(2-oxidanylidene-2-phenyl-ethanoyl)-2-phenyl-piperidin-1-ium-2-carbothioic S-acid Openeye Name: 1-ethyl-1-(2-oxo-2-phenyl-acetyl)-2-phenyl-piperidin-1-ium-2-carbothioic S-acid CAS Name: 1-(1,2-dioxo-2-phenylethyl)-1-ethyl-2-phenyl-2-piperidin-1-iumcarbothioic S-acid IUPAC Name: 1-ethyl-1-(2-oxo-2-phenylacetyl)-2-phenylpiperidin-1-ium-2-carbothioic S-acid Traditional Name: 1-ethyl-1-(2-keto-2-phenyl-acetyl)-2-phenyl-piperidin-1-ium-2-carbothioic S-acid Formula: C22H24NO3S+ MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1(C2=CC=CC=C2)C(=O)S)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC[N+]1(CCCCC1(C2=CC=CC=C2)C(=O)S)C(=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-2-23(20(25)19(24)17-11-5-3-6-12-17)16-10-9-15-22(23,21(26)27)18-13-7-4-8-14-18/h3-8,11-14H,2,9-10,15-16H2,1H3/p+1