3-[3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-chloro-5-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C18H26ClNO4 MolecularWeight: 355.85634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CCC(=O)[O-])Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CCC(=O)[O-])Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C18H26ClNO4/c1-2-23-16-13-14(6-7-17(21)22)12-15(19)18(16)24-11-10-20-8-4-3-5-9-20/h12-13H,2-11H2,1H3,(H,21,22)