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

Systemtic Name: 3-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(2-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H20ClN3OS/c20-16-6-2-3-7-17(16)24-14-13-22-9-11-23(12-10-22)19-15-5-1-4-8-18(15)25-21-19/h1-8H,9-14H2/p+1