N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-benzyloxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-phenylmethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-benzoxyphenyl)piperazin-1-ium-1-yl]-N-piazthiol-5-yl-acetamide Formula: C25H26N5O2S+ MolecularWeight: 460.57124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S/c31-25(26-20-6-11-23-24(16-20)28-33-27-23)17-29-12-14-30(15-13-29)21-7-9-22(10-8-21)32-18-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,26,31)/p+1