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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 4-methylbenzoate Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester Formula: C21H22NO2S+ MolecularWeight: 352.46988

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO2S/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/q+1