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3-(phenylmethyl)-1,3-benzothiazol-3-ium

3-(phenylmethyl)-1,3-benzothiazol-3-ium

Systemtic Name:3-(phenylmethyl)-1,3-benzothiazol-3-ium
Openeye Name:3-benzyl-1,3-benzothiazol-3-ium
CAS Name:3-(phenylmethyl)-1,3-benzothiazol-3-ium
IUPAC Name:3-benzyl-1,3-benzothiazol-3-ium
Traditional Name:3-benzyl-1,3-benzothiazol-3-ium
Formula: C14H12NS+
MolecularWeight: 226.31678
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32


Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32


InChI

InChI=1S/C14H12NS/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15/h1-9,11H,10H2/q+1


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