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1-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]ethanone

1-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]ethanone

Systemtic Name:1-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]ethanone
Openeye Name:1-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]ethanone
CAS Name:1-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]ethanone
IUPAC Name:1-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]ethanone
Traditional Name:1-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]ethanone
Formula: C16H14NOS+
MolecularWeight: 268.35346
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3S2)C


Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3S2)C


InChI

InChI=1S/C16H14NOS/c1-11(18)12-7-9-13(10-8-12)16-17(2)14-5-3-4-6-15(14)19-16/h3-10H,1-2H3/q+1


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