[4-(4-ethoxycarbonyl-1-oxidanyl-1-oxidanylidene-octan-4-yl)-3H-1,3-thiazol-2-ylidene]-(4-ethoxyphenyl)azanium bromide

Systemtic Name: [4-(4-ethoxycarbonyl-1-oxidanyl-1-oxidanylidene-octan-4-yl)-3H-1,3-thiazol-2-ylidene]-(4-ethoxyphenyl)azanium bromide Openeye Name: [4-[1-(2-carboxyethyl)-1-ethoxycarbonyl-pentyl]-3H-thiazol-2-ylidene]-(4-ethoxyphenyl)ammonium bromide CAS Name: [4-(4-ethoxycarbonyl-1-hydroxy-1-oxooctan-4-yl)-3H-thiazol-2-ylidene]-(4-ethoxyphenyl)ammonium bromide IUPAC Name: [4-(4-ethoxycarbonyl-1-hydroxy-1-oxooctan-4-yl)-3H-1,3-thiazol-2-ylidene]-(4-ethoxyphenyl)azanium bromide Traditional Name: [4-[1-carbethoxy-1-(2-carboxyethyl)pentyl]-4-thiazolin-2-ylidene]-p-phenetyl-ammonium bromide Formula: C22H31BrN2O5S MolecularWeight: 515.46094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)O)(C1=CSC(=[NH+]C2=CC=C(C=C2)OCC)N1)C(=O)OCC.[Br-]

Isomeric SMILES

CCCCC(CCC(=O)O)(C1=CSC(=[NH+]C2=CC=C(C=C2)OCC)N1)C(=O)OCC.[Br-]

InChI

InChI=1S/C22H30N2O5S.BrH/c1-4-7-13-22(14-12-19(25)26,20(27)29-6-3)18-15-30-21(24-18)23-16-8-10-17(11-9-16)28-5-2;/h8-11,15H,4-7,12-14H2,1-3H3,(H,23,24)(H,25,26);1H