3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC=C2CCC(=O)[O-]

InChI

InChI=1S/C16H23NO3/c18-16(19)9-8-14-6-2-3-7-15(14)20-13-12-17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-13H2,(H,18,19)