2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 4-methylbenzoate chloride

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 4-methylbenzoate chloride Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 4-methylbenzoate chloride CAS Name: 4-methylbenzoic acid 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl ester chloride IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 4-methylbenzoate chloride Traditional Name: 4-methylbenzoic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester chloride Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCC2=C([N+](=CS2)CC3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCC2=C([N+](=CS2)CC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C21H22NO2S.ClH/c1-16-8-10-19(11-9-16)21(23)24-13-12-20-17(2)22(15-25-20)14-18-6-4-3-5-7-18;/h3-11,15H,12-14H2,1-2H3;1H/q+1;/p-1