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

Systemtic Name: 3-[3-bromanyl-5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-bromo-5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-bromo-5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-bromo-5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C16H21BrClNO3 MolecularWeight: 390.69984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2CCC(=O)[O-])Cl)Br

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2CCC(=O)[O-])Cl)Br

InChI

InChI=1S/C16H21BrClNO3/c17-14-11-13(18)10-12(4-5-15(20)21)16(14)22-9-8-19-6-2-1-3-7-19/h10-11H,1-9H2,(H,20,21)