2-[4-methyl-3-[(2-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol bromide

Systemtic Name: 2-[4-methyl-3-[(2-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol bromide Openeye Name: 2-[4-methyl-3-[(2-nitrophenyl)methyl]thiazol-3-ium-5-yl]ethanol bromide CAS Name: 2-[4-methyl-3-[(2-nitrophenyl)methyl]-5-thiazol-3-iumyl]ethanol bromide IUPAC Name: 2-[4-methyl-3-[(2-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol bromide Traditional Name: 2-[4-methyl-3-(2-nitrobenzyl)thiazol-3-ium-5-yl]ethanol bromide Formula: C13H15BrN2O3S MolecularWeight: 359.2388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N2O3S.BrH/c1-10-13(6-7-16)19-9-14(10)8-11-4-2-3-5-12(11)15(17)18;/h2-5,9,16H,6-8H2,1H3;1H/q+1;/p-1