methyl 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanoate bromide

Systemtic Name: methyl 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanoate bromide Openeye Name: methyl 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-isothiazol-2-yl]acetate bromide CAS Name: 2-[4-(4-bromophenyl)-5-(4-morpholin-4-iumylidene)-2-isothiazolyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]acetate bromide Traditional Name: 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-3-isothiazolin-2-yl]acetic acid methyl ester bromide Formula: C16H18Br2N2O3S MolecularWeight: 478.19872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

COC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C16H18BrN2O3S.BrH/c1-21-15(20)11-19-10-14(12-2-4-13(17)5-3-12)16(23-19)18-6-8-22-9-7-18;/h2-5,10H,6-9,11H2,1H3;1H/q+1;/p-1