3-(4-methoxyphenyl)-1-(2-oxidanylidene-2-phenyl-ethanoyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid

Systemtic Name: 3-(4-methoxyphenyl)-1-(2-oxidanylidene-2-phenyl-ethanoyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid Openeye Name: 3-(4-methoxyphenyl)-1-(2-oxo-2-phenyl-acetyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid CAS Name: 1-(1,2-dioxo-2-phenylethyl)-3-(4-methoxyphenyl)-1-propyl-2-piperidin-1-iumcarbothioic S-acid IUPAC Name: 3-(4-methoxyphenyl)-1-(2-oxo-2-phenylacetyl)-1-propylpiperidin-1-ium-2-carbothioic S-acid Traditional Name: 1-(2-keto-2-phenyl-acetyl)-3-(4-methoxyphenyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid Formula: C24H28NO4S+ MolecularWeight: 426.54842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4S/c1-3-15-25(23(27)22(26)18-8-5-4-6-9-18)16-7-10-20(21(25)24(28)30)17-11-13-19(29-2)14-12-17/h4-6,8-9,11-14,20-21H,3,7,10,15-16H2,1-2H3/p+1