2-(1-butyl-1,2,2,6,6-pentamethyl-piperidin-1-ium-4-ylidene)ethanethioic S-acid

Systemtic Name: 2-(1-butyl-1,2,2,6,6-pentamethyl-piperidin-1-ium-4-ylidene)ethanethioic S-acid Openeye Name: 2-(1-butyl-1,2,2,6,6-pentamethyl-piperidin-1-ium-4-ylidene)ethanethioic S-acid CAS Name: 2-(1-butyl-1,2,2,6,6-pentamethyl-4-piperidin-1-iumylidene)ethanethioic S-acid IUPAC Name: 2-(1-butyl-1,2,2,6,6-pentamethylpiperidin-1-ium-4-ylidene)ethanethioic S-acid Traditional Name: 2-(1-butyl-1,2,2,6,6-pentamethyl-piperidin-1-ium-4-ylidene)thioacetic acid Formula: C16H30NOS+ MolecularWeight: 284.4805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(CC(=CC(=O)S)CC1(C)C)(C)C)C

Isomeric SMILES

CCCC[N+]1(C(CC(=CC(=O)S)CC1(C)C)(C)C)C

InChI

InChI=1S/C16H29NOS/c1-7-8-9-17(6)15(2,3)11-13(10-14(18)19)12-16(17,4)5/h10H,7-9,11-12H2,1-6H3/p+1