2-(4-propylpiperazin-4-ium-1-yl)carbonylbenzoate

Systemtic Name: 2-(4-propylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 2-(4-propylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 2-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 2-(4-propylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 2-(4-propylpiperazin-4-ium-1-carbonyl)benzoate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-2-7-16-8-10-17(11-9-16)14(18)12-5-3-4-6-13(12)15(19)20/h3-6H,2,7-11H2,1H3,(H,19,20)