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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 4-methoxybenzoate chloride Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 4-methoxybenzoate chloride CAS Name: 4-methoxybenzoic 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-methoxybenzoate chloride Traditional Name: 4-methoxybenzoic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester chloride Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO3S.ClH/c1-16-20(26-15-22(16)14-17-6-4-3-5-7-17)12-13-25-21(23)18-8-10-19(24-2)11-9-18;/h3-11,15H,12-14H2,1-2H3;1H/q+1;/p-1