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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-(4-methoxyphenyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-(4-methoxyphenyl)-1-propyl-piperidin-1-ium-2-carbothioic S-acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-(4-methoxyphenyl)-1-propyl-2-piperidin-1-iumcarbothioic S-acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-2-(4-methoxyphenyl)-1-propylpiperidin-1-ium-2-carbothioic S-acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-2-(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(CCCCC1(C2=CC=C(C=C2)OC)C(=O)S)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

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

InChI

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