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

Systemtic Name: 2-(4-methoxyphenyl)-1-(2-oxidanylidene-2-phenyl-ethanoyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid Openeye Name: 2-(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)-2-(4-methoxyphenyl)-1-propyl-2-piperidin-1-iumcarbothioic S-acid IUPAC Name: 2-(4-methoxyphenyl)-1-(2-oxo-2-phenylacetyl)-1-propylpiperidin-1-ium-2-carbothioic S-acid Traditional Name: 1-(2-keto-2-phenyl-acetyl)-2-(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(CCCCC1(C2=CC=C(C=C2)OC)C(=O)S)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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