3-[1-(2-chloroethyl)piperazin-1-ium-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[1-(2-chloroethyl)piperazin-1-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[1-(2-chloroethyl)piperazin-1-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[1-(2-chloroethyl)-1-piperazin-1-iumyl]-1,2-benzothiazole IUPAC Name: 3-[1-(2-chloroethyl)piperazin-1-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[1-(2-chloroethyl)piperazin-1-ium-1-yl]-1,2-benzothiazole Formula: C13H17ClN3S+ MolecularWeight: 282.81218

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCCl)C2=NSC3=CC=CC=C32

Isomeric SMILES

C1C[N+](CCN1)(CCCl)C2=NSC3=CC=CC=C32

InChI

InChI=1S/C13H17ClN3S/c14-5-8-17(9-6-15-7-10-17)13-11-3-1-2-4-12(11)18-16-13/h1-4,15H,5-10H2/q+1