3-(1-methylpiperidin-1-ium-4-yl)oxybenzoate

Systemtic Name: 3-(1-methylpiperidin-1-ium-4-yl)oxybenzoate Openeye Name: 3-(1-methylpiperidin-1-ium-4-yl)oxybenzoate CAS Name: 3-[(1-methyl-4-piperidin-1-iumyl)oxy]benzoate IUPAC Name: 3-(1-methylpiperidin-1-ium-4-yl)oxybenzoate Traditional Name: 3-(1-methylpiperidin-1-ium-4-yl)oxybenzoate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-14-7-5-11(6-8-14)17-12-4-2-3-10(9-12)13(15)16/h2-4,9,11H,5-8H2,1H3,(H,15,16)