4,5-dimethyl-3-[(3-nitrophenyl)methyl]-1,3-thiazol-3-ium chloride

Systemtic Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]-1,3-thiazol-3-ium chloride Openeye Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]thiazol-3-ium chloride CAS Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]thiazol-3-ium chloride IUPAC Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]-1,3-thiazol-3-ium chloride Traditional Name: 4,5-dimethyl-3-(3-nitrobenzyl)thiazol-3-ium chloride Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O2S.ClH/c1-9-10(2)17-8-13(9)7-11-4-3-5-12(6-11)14(15)16;/h3-6,8H,7H2,1-2H3;1H/q+1;/p-1