3-[4-[2-(2-phenylsulfanylethoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[2-(2-phenylsulfanylethoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(2-phenylsulfanylethoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-[2-(phenylthio)ethoxy]ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(2-phenylsulfanylethoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-[2-(phenylthio)ethoxy]ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOCCSC2=CC=CC=C2)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOCCSC2=CC=CC=C2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H25N3OS2/c1-2-6-18(7-3-1)26-17-16-25-15-14-23-10-12-24(13-11-23)21-19-8-4-5-9-20(19)27-22-21/h1-9H,10-17H2/p+1