3-bromanyl-4-(2-piperidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3-bromanyl-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-bromo-4-[2-(1-piperidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3/c15-12-10-11(14(17)18)4-5-13(12)19-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2,(H,17,18)