1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-(4-methoxyphenyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-(4-methoxyphenyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-(4-methoxyphenyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-(4-methoxyphenyl)-1-propyl-2-piperidin-1-iumcarbothioic S-acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-(4-methoxyphenyl)-1-propylpiperidin-1-ium-2-carbothioic S-acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-3-(4-methoxyphenyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid Formula: C23H34NO4S+ MolecularWeight: 420.58536

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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)C(C)(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO4S/c1-6-14-24(21(26)20(25)23(3,4)7-2)15-8-9-18(19(24)22(27)29)16-10-12-17(28-5)13-11-16/h10-13,18-19H,6-9,14-15H2,1-5H3/p+1