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

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

Isomeric SMILES

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

InChI

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