2,4-bis(chloranyl)-6-[[[(2S)-6-methylheptan-2-yl]azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(2S)-6-methylheptan-2-yl]azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(1S)-1,5-dimethylhexyl]ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(2S)-6-methylheptan-2-yl]ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(2S)-6-methylheptan-2-yl]azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(1S)-1,5-dimethylhexyl]ammonio]methyl]phenolate Formula: C15H23Cl2NO MolecularWeight: 304.25522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

Isomeric SMILES

C[C@@H](CCCC(C)C)[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

InChI

InChI=1S/C15H23Cl2NO/c1-10(2)5-4-6-11(3)18-9-12-7-13(16)8-14(17)15(12)19/h7-8,10-11,18-19H,4-6,9H2,1-3H3/t11-/m0/s1