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

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-oxidanyl-4-propoxy-benzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-hydroxy-4-propoxy-benzoate CAS Name: 2-hydroxy-4-propoxybenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-hydroxy-4-propoxybenzoate Traditional Name: 2-hydroxy-4-propoxy-benzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)OCC[NH+]2CCCCC2)O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)OCC[NH+]2CCCCC2)O

InChI

InChI=1S/C17H25NO4/c1-2-11-21-14-6-7-15(16(19)13-14)17(20)22-12-10-18-8-4-3-5-9-18/h6-7,13,19H,2-5,8-12H2,1H3/p+1