ethyl 1-[2-(3-butoxyphenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-butoxyphenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(3-butoxyphenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-butoxyphenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-butoxyphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-butoxyphenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)OCC[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC(=CC=C1)OCC[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C20H31NO4/c1-3-5-14-24-18-7-6-8-19(16-18)25-15-13-21-11-9-17(10-12-21)20(22)23-4-2/h6-8,16-17H,3-5,9-15H2,1-2H3/p+1