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

Systemtic Name: 3-(7-bromanylheptyl)-2-methyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-(7-bromoheptyl)-2-methyl-1,3-benzothiazol-3-ium bromide Formula: C15H21Br2NS MolecularWeight: 407.20694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrNS.BrH/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;1H/q+1;/p-1