4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzoate Openeye Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-acetyl-1-piperazin-1-iumyl)methyl]benzoate IUPAC Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzoate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c1-11(17)16-8-6-15(7-9-16)10-12-2-4-13(5-3-12)14(18)19/h2-5H,6-10H2,1H3,(H,18,19)