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

Systemtic Name: 3-(5-bromanylpentyl)-1,3-benzothiazol-3-ium Openeye Name: 3-(5-bromopentyl)-1,3-benzothiazol-3-ium CAS Name: 3-(5-bromopentyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-(5-bromopentyl)-1,3-benzothiazol-3-ium Traditional Name: 3-(5-bromopentyl)-1,3-benzothiazol-3-ium Formula: C12H15BrNS+ MolecularWeight: 285.2232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCCCBr

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCCCBr

InChI

InChI=1S/C12H15BrNS/c13-8-4-1-5-9-14-10-15-12-7-3-2-6-11(12)14/h2-3,6-7,10H,1,4-5,8-9H2/q+1