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

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 2-(4-ethylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-carbonyl)benzoate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-2-15-7-9-16(10-8-15)13(17)11-5-3-4-6-12(11)14(18)19/h3-6H,2,7-10H2,1H3,(H,18,19)