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

Systemtic Name: N-(2,1,3-benzoxadiazol-4-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,1,3-benzoxadiazol-4-yl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2,1,3-benzoxadiazol-4-yl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,1,3-benzoxadiazol-4-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzofurazan-4-yl-acetamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC4=NON=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC4=NON=C43

InChI

InChI=1S/C20H21N5O3/c1-14(26)15-5-7-16(8-6-15)25-11-9-24(10-12-25)13-19(27)21-17-3-2-4-18-20(17)23-28-22-18/h2-8H,9-13H2,1H3,(H,21,27)/p+1