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

Systemtic Name: 2-methylpropyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanoate bromide Openeye Name: isobutyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-isothiazol-2-yl]acetate bromide CAS Name: 2-[4-(4-chlorophenyl)-5-(4-morpholin-4-iumylidene)-2-isothiazolyl]acetic acid 2-methylpropyl ester bromide IUPAC Name: 2-methylpropyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]acetate bromide Traditional Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-3-isothiazolin-2-yl]acetic acid isobutyl ester bromide Formula: C19H24BrClN2O3S MolecularWeight: 475.82746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN2O3S.BrH/c1-14(2)13-25-18(23)12-22-11-17(15-3-5-16(20)6-4-15)19(26-22)21-7-9-24-10-8-21;/h3-6,11,14H,7-10,12-13H2,1-2H3;1H/q+1;/p-1