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

Systemtic Name: 2-[4-methyl-3-[(3-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol chloride Openeye Name: 2-[4-methyl-3-[(3-nitrophenyl)methyl]thiazol-3-ium-5-yl]ethanol chloride CAS Name: 2-[4-methyl-3-[(3-nitrophenyl)methyl]-5-thiazol-3-iumyl]ethanol chloride IUPAC Name: 2-[4-methyl-3-[(3-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol chloride Traditional Name: 2-[4-methyl-3-(3-nitrobenzyl)thiazol-3-ium-5-yl]ethanol chloride Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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