2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzoate Formula: C14H20N2O2 MolecularWeight: 248.3208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2C(=O)[O-]

InChI

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