2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethanoate

Systemtic Name: 2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethanoate Openeye Name: 2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetate CAS Name: 2-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]acetate IUPAC Name: 2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetate Traditional Name: 2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C15H21NO3/c17-15(18)12-13-4-6-14(7-5-13)19-11-10-16-8-2-1-3-9-16/h4-7H,1-3,8-12H2,(H,17,18)