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

Systemtic Name: 3-[4-[4-(4-methoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[4-(4-methoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[4-(4-methoxyphenoxy)butyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[4-(4-methoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[4-(4-methoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-26-18-8-10-19(11-9-18)27-17-5-4-12-24-13-15-25(16-14-24)22-20-6-2-3-7-21(20)28-23-22/h2-3,6-11H,4-5,12-17H2,1H3/p+1