3-(5-bromanylpentyl)-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-(5-bromanylpentyl)-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-(5-bromopentyl)-2-methyl-1,3-benzothiazol-3-ium Formula: C13H17BrNS+ MolecularWeight: 299.24978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrNS/c1-11-15(10-6-2-5-9-14)12-7-3-4-8-13(12)16-11/h3-4,7-8H,2,5-6,9-10H2,1H3/q+1