(5-methyl-2-propan-2-yl-cyclohexyl) 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(4,5-dimethylthiazol-3-ium-3-yl)acetate chloride CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)acetate chloride Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C17H28ClNO2S MolecularWeight: 345.92772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+]2=CSC(=C2C)C)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C[N+]2=CSC(=C2C)C)C(C)C.[Cl-]

InChI

InChI=1S/C17H28NO2S.ClH/c1-11(2)15-7-6-12(3)8-16(15)20-17(19)9-18-10-21-14(5)13(18)4;/h10-12,15-16H,6-9H2,1-5H3;1H/q+1;/p-1