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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl benzoate chloride CAS Name: benzoic 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 benzoate chloride Traditional Name: benzoic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester chloride Formula: C20H20ClNO2S MolecularWeight: 373.8963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H20NO2S.ClH/c1-16-19(12-13-23-20(22)18-10-6-3-7-11-18)24-15-21(16)14-17-8-4-2-5-9-17;/h2-11,15H,12-14H2,1H3;1H/q+1;/p-1