2,4-bis(bromanyl)-6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenolate Openeye Name: 2,4-dibromo-6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenolate CAS Name: 2,4-dibromo-6-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]phenolate IUPAC Name: 2,4-dibromo-6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenolate Traditional Name: 2,4-dibromo-6-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]phenolate Formula: C15H19Br2NO3 MolecularWeight: 421.12426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC(=C2[O-])Br)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC(=C2[O-])Br)Br

InChI

InChI=1S/C15H19Br2NO3/c1-2-21-15(20)10-3-5-18(6-4-10)9-11-7-12(16)8-13(17)14(11)19/h7-8,10,19H,2-6,9H2,1H3