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

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl benzoate Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl benzoate CAS Name: benzoic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl benzoate Traditional Name: benzoic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester Formula: C21H20NO3S+ MolecularWeight: 366.4534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO3S/c1-16-20(12-13-25-21(24)18-10-6-3-7-11-18)26-15-22(16)14-19(23)17-8-4-2-5-9-17/h2-11,15H,12-14H2,1H3/q+1