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

Systemtic Name: methyl 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanoate Openeye Name: methyl 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-isothiazol-2-yl]acetate CAS Name: 2-[4-(4-bromophenyl)-5-(4-morpholin-4-iumylidene)-2-isothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]acetate Traditional Name: 2-[4-(4-bromophenyl)-5-morpholin-4-ium-4-ylidene-3-isothiazolin-2-yl]acetic acid methyl ester Formula: C16H18BrN2O3S+ MolecularWeight: 398.29472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN2O3S/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/q+1