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3-(7-bromanylheptyl)-2-methyl-1,3-benzothiazol-3-ium

3-(7-bromanylheptyl)-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name:3-(7-bromanylheptyl)-2-methyl-1,3-benzothiazol-3-ium
Openeye Name:3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium
CAS Name:3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium
IUPAC Name:3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium
Traditional Name:3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium
Formula: C15H21BrNS+
MolecularWeight: 327.30294
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCCCCBr


Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCCCCBr


InChI

InChI=1S/C15H21BrNS/c1-13-17(12-8-4-2-3-7-11-16)14-9-5-6-10-15(14)18-13/h5-6,9-10H,2-4,7-8,11-12H2,1H3/q+1


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