3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-2-15-6-8-16(9-7-15)11-12-4-3-5-13(10-12)14(17)18/h3-5,10H,2,6-9,11H2,1H3,(H,17,18)