2,4-bis(bromanyl)-6-[[methyl(phenethyl)azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[[methyl(phenethyl)azaniumyl]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[methyl(phenethyl)ammonio]methyl]phenolate CAS Name: 2,4-dibromo-6-[[methyl(phenethyl)ammonio]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[methyl(phenethyl)azaniumyl]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[methyl(phenethyl)ammonio]methyl]phenolate Formula: C16H17Br2NO MolecularWeight: 399.12028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC(=CC(=C2[O-])Br)Br

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC(=CC(=C2[O-])Br)Br

InChI

InChI=1S/C16H17Br2NO/c1-19(8-7-12-5-3-2-4-6-12)11-13-9-14(17)10-15(18)16(13)20/h2-6,9-10,20H,7-8,11H2,1H3