[4,5-dimethyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-yl]-phenyl-methanol bromide

Systemtic Name: [4,5-dimethyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-yl]-phenyl-methanol bromide Openeye Name: (3-benzyl-4,5-dimethyl-thiazol-3-ium-2-yl)-phenyl-methanol bromide CAS Name: [4,5-dimethyl-3-(phenylmethyl)-2-thiazol-3-iumyl]-phenylmethanol bromide IUPAC Name: (3-benzyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-phenylmethanol bromide Traditional Name: (3-benzyl-4,5-dimethyl-thiazol-3-ium-2-yl)-phenyl-methanol bromide Formula: C19H20BrNOS MolecularWeight: 391.329855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[N+]1CC2=CC=CC=C2)C(C3=CC=CC=C3)O)C.[Br-]

Isomeric SMILES

CC1=C(SC(=[N+]1CC2=CC=CC=C2)[13CH](C3=CC=CC=C3)O)C.[Br-]

InChI

InChI=1S/C19H20NOS.BrH/c1-14-15(2)22-19(18(21)17-11-7-4-8-12-17)20(14)13-16-9-5-3-6-10-16;/h3-12,18,21H,13H2,1-2H3;1H/q+1;/p-1/i18+1;