3,5-dimethyl-4-(2-piperidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylethoxy)benzoate CAS Name: 3,5-dimethyl-4-[2-(1-piperidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[NH+]2CCCCC2)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC[NH+]2CCCCC2)C)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-12-10-14(16(18)19)11-13(2)15(12)20-9-8-17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H,18,19)