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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 2-(4-methylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 2-(4-methylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 2-(4-methylpiperazin-4-ium-1-carbonyl)benzoate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)