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1,3-benzothiazol-2-ylmethyl-[(4-bromanylthiophen-2-yl)methyl]azanium

1,3-benzothiazol-2-ylmethyl-[(4-bromanylthiophen-2-yl)methyl]azanium

Systemtic Name:1,3-benzothiazol-2-ylmethyl-[(4-bromanylthiophen-2-yl)methyl]azanium
Openeye Name:1,3-benzothiazol-2-ylmethyl-[(4-bromo-2-thienyl)methyl]ammonium
CAS Name:1,3-benzothiazol-2-ylmethyl-[(4-bromo-2-thiophenyl)methyl]ammonium
IUPAC Name:1,3-benzothiazol-2-ylmethyl-[(4-bromothiophen-2-yl)methyl]azanium
Traditional Name:1,3-benzothiazol-2-ylmethyl-[(4-bromo-2-thienyl)methyl]ammonium
Formula: C13H12BrN2S2+
MolecularWeight: 340.28178
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C[NH2+]CC3=CC(=CS3)Br


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C[NH2+]CC3=CC(=CS3)Br


InChI

InChI=1S/C13H11BrN2S2/c14-9-5-10(17-8-9)6-15-7-13-16-11-3-1-2-4-12(11)18-13/h1-5,8,15H,6-7H2/p+1


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