2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl cyclopropanecarboxylate chloride

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl cyclopropanecarboxylate chloride Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl cyclopropanecarboxylate chloride CAS Name: cyclopropanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester chloride IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl cyclopropanecarboxylate chloride Traditional Name: cyclopropanecarboxylic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester chloride Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3CC3.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3CC3.[Cl-]

InChI

InChI=1S/C18H20NO3S.ClH/c1-13-17(9-10-22-18(21)15-7-8-15)23-12-19(13)11-16(20)14-5-3-2-4-6-14;/h2-6,12,15H,7-11H2,1H3;1H/q+1;/p-1