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

Systemtic Name: 3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[4-(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=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c18-16(19)9-6-14-4-7-15(8-5-14)20-13-12-17-10-2-1-3-11-17/h4-5,7-8H,1-3,6,9-13H2,(H,18,19)