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

Systemtic Name: 3-[4-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCOCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1OCCOCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O3S/c1-26-19-7-3-4-8-20(19)28-17-16-27-15-14-24-10-12-25(13-11-24)22-18-6-2-5-9-21(18)29-23-22/h2-9H,10-17H2,1H3/p+1