3-(6-bromanylhexyl)-2-methyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-(6-bromanylhexyl)-2-methyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-(6-bromohexyl)-2-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-(6-bromohexyl)-2-methyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-(6-bromohexyl)-2-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-(6-bromohexyl)-2-methyl-1,3-benzothiazol-3-ium bromide Formula: C14H19Br2NS MolecularWeight: 393.18036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrNS.BrH/c1-12-16(11-7-3-2-6-10-15)13-8-4-5-9-14(13)17-12;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H/q+1;/p-1