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

Systemtic Name: 4-[3-(4-ethanoylpiperazin-1-ium-1-yl)propoxy]benzoate Openeye Name: 4-[3-(4-acetylpiperazin-1-ium-1-yl)propoxy]benzoate CAS Name: 4-[3-(4-acetyl-1-piperazin-1-iumyl)propoxy]benzoate IUPAC Name: 4-[3-(4-acetylpiperazin-1-ium-1-yl)propoxy]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-13(19)18-10-8-17(9-11-18)7-2-12-22-15-5-3-14(4-6-15)16(20)21/h3-6H,2,7-12H2,1H3,(H,20,21)