(2-ethoxy-2-oxidanylidene-ethyl)-[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-methyl-azanium bromide

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-methyl-azanium bromide Openeye Name: (2-ethoxy-2-oxo-ethyl)-[4-(4-methoxyphenyl)-3-methyl-thiazol-2-ylidene]-methyl-ammonium bromide CAS Name: (2-ethoxy-2-oxoethyl)-[4-(4-methoxyphenyl)-3-methyl-2-thiazolylidene]-methylammonium bromide IUPAC Name: (2-ethoxy-2-oxoethyl)-[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-methylazanium bromide Traditional Name: (2-ethoxy-2-keto-ethyl)-[4-(4-methoxyphenyl)-3-methyl-4-thiazolin-2-ylidene]-methyl-ammonium bromide Formula: C16H21BrN2O3S MolecularWeight: 401.31854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+](=C1N(C(=CS1)C2=CC=C(C=C2)OC)C)C.[Br-]

Isomeric SMILES

CCOC(=O)C[N+](=C1N(C(=CS1)C2=CC=C(C=C2)OC)C)C.[Br-]

InChI

InChI=1S/C16H21N2O3S.BrH/c1-5-21-15(19)10-17(2)16-18(3)14(11-22-16)12-6-8-13(20-4)9-7-12;/h6-9,11H,5,10H2,1-4H3;1H/q+1;/p-1