2-piperidin-1-ium-1-ylethyl 3-methoxy-4-oxidanyl-benzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3-methoxy-4-oxidanyl-benzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 4-hydroxy-3-methoxy-benzoate CAS Name: 4-hydroxy-3-methoxybenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 4-hydroxy-3-methoxybenzoate Traditional Name: 4-hydroxy-3-methoxy-benzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C15H22NO4+ MolecularWeight: 280.33948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC[NH+]2CCCCC2)O

InChI

InChI=1S/C15H21NO4/c1-19-14-11-12(5-6-13(14)17)15(18)20-10-9-16-7-3-2-4-8-16/h5-6,11,17H,2-4,7-10H2,1H3/p+1