2-piperidin-1-ium-1-ylethyl 4-butoxy-2-oxidanyl-benzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 4-butoxy-2-oxidanyl-benzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 4-butoxy-2-hydroxy-benzoate CAS Name: 4-butoxy-2-hydroxybenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 4-butoxy-2-hydroxybenzoate Traditional Name: 4-butoxy-2-hydroxy-benzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=O)OCC[NH+]2CCCCC2)O

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=O)OCC[NH+]2CCCCC2)O

InChI

InChI=1S/C18H27NO4/c1-2-3-12-22-15-7-8-16(17(20)14-15)18(21)23-13-11-19-9-5-4-6-10-19/h7-8,14,20H,2-6,9-13H2,1H3/p+1