3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrrolo[2,1-b][1,3]thiazol-4-ium bromide

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrrolo[2,1-b][1,3]thiazol-4-ium bromide Openeye Name: 3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrrolo[2,1-b]thiazol-4-ium bromide CAS Name: 3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrrolo[2,1-b]thiazol-4-ium bromide IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrrolo[2,1-b][1,3]thiazol-4-ium bromide Traditional Name: 3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrrolo[2,1-b]thiazol-4-ium bromide Formula: C14H16BrNOS MolecularWeight: 326.25194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=C(S1)CCC2)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CC1=C([N+]2=C(S1)CCC2)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C14H16NOS.BrH/c1-10-14(15-9-3-4-13(15)17-10)11-5-7-12(16-2)8-6-11;/h5-8H,3-4,9H2,1-2H3;1H/q+1;/p-1