2-chloranyl-6-(4-propylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 2-chloranyl-6-(4-propylpiperazin-4-ium-1-yl)benzoate Openeye Name: 2-chloro-6-(4-propylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-chloro-6-(4-propyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 2-chloro-6-(4-propylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-chloro-6-(4-propylpiperazin-4-ium-1-yl)benzoate Formula: C14H19ClN2O2 MolecularWeight: 282.76586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2/c1-2-6-16-7-9-17(10-8-16)12-5-3-4-11(15)13(12)14(18)19/h3-5H,2,6-10H2,1H3,(H,18,19)