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

Systemtic Name: 3-[4-[3-(2-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[3-(2-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[3-(2-methoxyphenoxy)propyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[3-(2-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[3-(2-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1OCCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H25N3O2S/c1-25-18-8-3-4-9-19(18)26-16-6-11-23-12-14-24(15-13-23)21-17-7-2-5-10-20(17)27-22-21/h2-5,7-10H,6,11-16H2,1H3/p+1