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

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(4-nitrobenzyl)-1,3-benzothiazol-3-ium Formula: C15H13N2O2S+ MolecularWeight: 285.34092

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H13N2O2S/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/q+1