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

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium Openeye Name: 4-methyl-3-[(4-nitrophenyl)methyl]thiazol-3-ium CAS Name: 4-methyl-3-[(4-nitrophenyl)methyl]thiazol-3-ium IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium Traditional Name: 4-methyl-3-(4-nitrobenzyl)thiazol-3-ium Formula: C11H11N2O2S+ MolecularWeight: 235.28224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N2O2S/c1-9-7-16-8-12(9)6-10-2-4-11(5-3-10)13(14)15/h2-5,7-8H,6H2,1H3/q+1