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

Systemtic Name: N-(2,1,3-benzoxadiazol-4-yl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzoxadiazol-4-yl)-2-[4-(4-benzyloxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzoxadiazol-4-yl)-2-[4-(4-phenylmethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzoxadiazol-4-yl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzofurazan-4-yl-2-[4-(4-benzoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H26N5O3+ MolecularWeight: 444.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NON=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=NON=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c31-24(26-22-7-4-8-23-25(22)28-33-27-23)17-29-13-15-30(16-14-29)20-9-11-21(12-10-20)32-18-19-5-2-1-3-6-19/h1-12H,13-18H2,(H,26,31)/p+1