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

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

Isomeric SMILES

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

InChI

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