3-[5-[2-(1-adamantylcarbonyloxy)ethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[5-[2-(1-adamantylcarbonyloxy)ethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[5-[2-(adamantane-1-carbonyloxy)ethyl]-4-methyl-thiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[5-[2-[1-adamantyl(oxo)methoxy]ethyl]-4-methyl-3-thiazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[5-[2-(adamantane-1-carbonyloxy)ethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[5-[2-(adamantane-1-carbonyloxy)ethyl]-4-methyl-thiazol-3-ium-3-yl]propane-1-sulfonate Formula: C20H29NO5S2 MolecularWeight: 427.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CCCS(=O)(=O)[O-])CCOC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(SC=[N+]1CCCS(=O)(=O)[O-])CCOC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29NO5S2/c1-14-18(27-13-21(14)4-2-6-28(23,24)25)3-5-26-19(22)20-10-15-7-16(11-20)9-17(8-15)12-20/h13,15-17H,2-12H2,1H3