3-[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)methyl]-1,3-benzoxazol-3-ium bromide

Systemtic Name: 3-[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)methyl]-1,3-benzoxazol-3-ium bromide Openeye Name: 3-[(Z)-(3-methylthiazolidin-2-ylidene)methyl]-1,3-benzoxazol-3-ium bromide CAS Name: 3-[(Z)-(3-methyl-2-thiazolidinylidene)methyl]-1,3-benzoxazol-3-ium bromide IUPAC Name: 3-[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)methyl]-1,3-benzoxazol-3-ium bromide Traditional Name: 3-[(Z)-(3-methylthiazolidin-2-ylidene)methyl]-1,3-benzoxazol-3-ium bromide Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCSC1=C[N+]2=COC3=CC=CC=C32.[Br-]

Isomeric SMILES

CN\1CCS/C1=C\[N+]2=COC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C12H13N2OS.BrH/c1-13-6-7-16-12(13)8-14-9-15-11-5-3-2-4-10(11)14;/h2-5,8-9H,6-7H2,1H3;1H/q+1;/p-1/b12-8-;