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

Systemtic Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(3-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=C1)OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

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