4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzoate

Systemtic Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzoate Openeye Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzoate CAS Name: 4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]benzoate IUPAC Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzoate Traditional Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzoate Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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