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1,3-benzothiazol-2-ylmethyl-[(3-bromanyl-4-fluoranyl-phenyl)methyl]azanium

1,3-benzothiazol-2-ylmethyl-[(3-bromanyl-4-fluoranyl-phenyl)methyl]azanium

Systemtic Name:1,3-benzothiazol-2-ylmethyl-[(3-bromanyl-4-fluoranyl-phenyl)methyl]azanium
Openeye Name:1,3-benzothiazol-2-ylmethyl-[(3-bromo-4-fluoro-phenyl)methyl]ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-[(3-bromo-4-fluorophenyl)methyl]ammonium
IUPAC Name:1,3-benzothiazol-2-ylmethyl-[(3-bromo-4-fluorophenyl)methyl]azanium
Traditional Name:1,3-benzothiazol-2-ylmethyl-(3-bromo-4-fluoro-benzyl)ammonium
Formula: C15H13BrFN2S+
MolecularWeight: 352.244523
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C[NH2+]CC3=CC(=C(C=C3)F)Br


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C[NH2+]CC3=CC(=C(C=C3)F)Br


InChI

InChI=1S/C15H12BrFN2S/c16-11-7-10(5-6-12(11)17)8-18-9-15-19-13-3-1-2-4-14(13)20-15/h1-7,18H,8-9H2/p+1


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