2-piperidin-1-ium-1-ylethyl 5-[(2-bromanylphenoxy)methyl]furan-2-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 5-[(2-bromanylphenoxy)methyl]furan-2-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(2-bromophenoxy)methyl]-2-furancarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(2-bromophenoxy)methyl]furan-2-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C19H23BrNO4+ MolecularWeight: 409.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br

InChI

InChI=1S/C19H22BrNO4/c20-16-6-2-3-7-17(16)24-14-15-8-9-18(25-15)19(22)23-13-12-21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-14H2/p+1