butyl 2-[4-(4-chlorophenyl)-1,2-thiazol-2-ium-5-yl]-2-morpholin-4-yl-ethanoate bromide

Systemtic Name: butyl 2-[4-(4-chlorophenyl)-1,2-thiazol-2-ium-5-yl]-2-morpholin-4-yl-ethanoate bromide Openeye Name: butyl 2-[4-(4-chlorophenyl)isothiazol-2-ium-5-yl]-2-morpholino-acetate bromide CAS Name: 2-[4-(4-chlorophenyl)-5-isothiazol-2-iumyl]-2-(4-morpholinyl)acetic acid butyl ester bromide IUPAC Name: butyl 2-[4-(4-chlorophenyl)-1,2-thiazol-2-ium-5-yl]-2-morpholin-4-ylacetate bromide Traditional Name: 2-[4-(4-chlorophenyl)isothiazol-2-ium-5-yl]-2-morpholino-acetic acid butyl ester bromide Formula: C19H24BrClN2O3S MolecularWeight: 475.82746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1=C(C=[NH+]S1)C2=CC=C(C=C2)Cl)N3CCOCC3.[Br-]

Isomeric SMILES

CCCCOC(=O)C(C1=C(C=[NH+]S1)C2=CC=C(C=C2)Cl)N3CCOCC3.[Br-]

InChI

InChI=1S/C19H23ClN2O3S.BrH/c1-2-3-10-25-19(23)17(22-8-11-24-12-9-22)18-16(13-21-26-18)14-4-6-15(20)7-5-14;/h4-7,13,17H,2-3,8-12H2,1H3;1H