3-(2-cyclohexylethyl)-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-(2-cyclohexylethyl)-1,3-benzothiazol-3-ium bromide Openeye Name: 3-(2-cyclohexylethyl)-1,3-benzothiazol-3-ium bromide CAS Name: 3-(2-cyclohexylethyl)-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-(2-cyclohexylethyl)-1,3-benzothiazol-3-ium bromide Traditional Name: 3-(2-cyclohexylethyl)-1,3-benzothiazol-3-ium bromide Formula: C15H20BrNS MolecularWeight: 326.295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC[N+]2=CSC3=CC=CC=C32.[Br-]

Isomeric SMILES

C1CCC(CC1)CC[N+]2=CSC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C15H20NS.BrH/c1-2-6-13(7-3-1)10-11-16-12-17-15-9-5-4-8-14(15)16;/h4-5,8-9,12-13H,1-3,6-7,10-11H2;1H/q+1;/p-1