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

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-acetylpiperazin-1-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(4-acetyl-1-piperazin-1-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(4-acetylpiperazin-1-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-acetylpiperazin-1-ium-1-yl)propoxy]benzoate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-13(19)18-9-7-17(8-10-18)6-3-11-22-15-5-2-4-14(12-15)16(20)21/h2,4-5,12H,3,6-11H2,1H3,(H,20,21)