2-(4-pentylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 2-(4-pentylpiperazin-4-ium-1-yl)benzoate Openeye Name: 2-(4-pentylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-(4-pentyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 2-(4-pentylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-(4-amylpiperazin-4-ium-1-yl)benzoate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCC[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H24N2O2/c1-2-3-6-9-17-10-12-18(13-11-17)15-8-5-4-7-14(15)16(19)20/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,19,20)