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3-(phenylmethyl)-3H-1,3-benzothiazol-3-ium-2-imine bromide

3-(phenylmethyl)-3H-1,3-benzothiazol-3-ium-2-imine bromide

Systemtic Name:3-(phenylmethyl)-3H-1,3-benzothiazol-3-ium-2-imine bromide
Openeye Name:3-benzyl-3H-1,3-benzothiazol-3-ium-2-imine bromide
CAS Name:3-(phenylmethyl)-3H-1,3-benzothiazol-3-ium-2-imine bromide
IUPAC Name:3-benzyl-3H-1,3-benzothiazol-3-ium-2-imine bromide
Traditional Name:(3-benzyl-3H-1,3-benzothiazol-3-ium-2-ylidene)amine bromide
Formula: C14H13BrN2S
MolecularWeight: 321.23542
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+]2C3=CC=CC=C3SC2=N.[Br-]


Isomeric SMILES

C1=CC=C(C=C1)C[NH+]2C3=CC=CC=C3SC2=N.[Br-]


InChI

InChI=1S/C14H12N2S.BrH/c15-14-16(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14;/h1-9,15H,10H2;1H


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