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

Systemtic Name: 3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(2-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H23N3O2S/c1-24-17-7-3-4-8-18(17)25-15-14-22-10-12-23(13-11-22)20-16-6-2-5-9-19(16)26-21-20/h2-9H,10-15H2,1H3/p+1