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

Systemtic Name: 3-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CCC(=O)[O-]

InChI

InChI=1S/C17H25NO4/c1-21-15-7-5-6-14(8-9-16(19)20)17(15)22-13-12-18-10-3-2-4-11-18/h5-7H,2-4,8-13H2,1H3,(H,19,20)