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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 2,2-diphenylethanoate chloride Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic 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 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester chloride Formula: C27H26ClNO2S MolecularWeight: 464.01884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H26NO2S.ClH/c1-21-25(31-20-28(21)19-22-11-5-2-6-12-22)17-18-30-27(29)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-16,20,26H,17-19H2,1H3;1H/q+1;/p-1