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

Systemtic Name: 1-(3-phenacyl-1,3-thiazol-3-ium-2-yl)ethyl benzoate Openeye Name: 1-(3-phenacylthiazol-3-ium-2-yl)ethyl benzoate CAS Name: benzoic acid 1-(3-phenacyl-2-thiazol-3-iumyl)ethyl ester IUPAC Name: 1-(3-phenacyl-1,3-thiazol-3-ium-2-yl)ethyl benzoate Traditional Name: benzoic acid 1-(3-phenacylthiazol-3-ium-2-yl)ethyl ester Formula: C20H18NO3S+ MolecularWeight: 352.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[N+](C=CS1)CC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=[N+](C=CS1)CC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18NO3S/c1-15(24-20(23)17-10-6-3-7-11-17)19-21(12-13-25-19)14-18(22)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3/q+1