3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-2-(4-nitrobenzyl)-1,3-benzothiazol-3-ium iodide Formula: C15H13IN2O2S MolecularWeight: 412.24539

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C15H13N2O2S.HI/c1-16-13-4-2-3-5-14(13)20-15(16)10-11-6-8-12(9-7-11)17(18)19;/h2-9H,10H2,1H3;1H/q+1;/p-1