N-(2,3-dimethylphenyl)-2-[4-[2-(3-ethanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-ethanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(3-acetylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C24H29N3O4/c1-17-6-4-9-22(18(17)2)25-23(29)15-26-10-12-27(13-11-26)24(30)16-31-21-8-5-7-20(14-21)19(3)28/h4-9,14H,10-13,15-16H2,1-3H3,(H,25,29)/p+1