3-[(4-ethanoylpiperazin-1-ium-1-yl)methoxy]benzoate

Systemtic Name: 3-[(4-ethanoylpiperazin-1-ium-1-yl)methoxy]benzoate Openeye Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methoxy]benzoate CAS Name: 3-[(4-acetyl-1-piperazin-1-iumyl)methoxy]benzoate IUPAC Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methoxy]benzoate Traditional Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methoxy]benzoate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)COC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)COC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-11(17)16-7-5-15(6-8-16)10-20-13-4-2-3-12(9-13)14(18)19/h2-4,9H,5-8,10H2,1H3,(H,18,19)