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

Systemtic Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]-1,3-thiazol-3-ium Openeye Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]thiazol-3-ium CAS Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]thiazol-3-ium IUPAC Name: 4,5-dimethyl-3-[(3-nitrophenyl)methyl]-1,3-thiazol-3-ium Traditional Name: 4,5-dimethyl-3-(3-nitrobenzyl)thiazol-3-ium Formula: C12H13N2O2S+ MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O2S/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/q+1