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

Systemtic Name: 2-[4-[2-(3-ethanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-(3-acetylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C19H27N3O4/c1-14(2)20-18(24)12-21-7-9-22(10-8-21)19(25)13-26-17-6-4-5-16(11-17)15(3)23/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,20,24)/p+1