3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-chloro-5-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Formula: C16H22ClNO4 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)[O-])Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)[O-])Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C16H22ClNO4/c1-2-21-14-11-12(16(19)20)10-13(17)15(14)22-9-8-18-6-4-3-5-7-18/h10-11H,2-9H2,1H3,(H,19,20)