3-[5-bromanyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[5-bromanyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[5-bromo-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[5-bromo-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[5-bromo-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[5-bromo-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO3/c17-14-5-6-15(13(12-14)4-7-16(19)20)21-11-10-18-8-2-1-3-9-18/h5-6,12H,1-4,7-11H2,(H,19,20)