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

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(2S)-pentan-2-yl]azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(1S)-1-methylbutyl]ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(2S)-pentan-2-yl]ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(2S)-pentan-2-yl]azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(1S)-1-methylbutyl]ammonio]methyl]phenolate Formula: C12H17Cl2NO MolecularWeight: 262.17548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17Cl2NO/c1-3-4-8(2)15-7-9-5-10(13)6-11(14)12(9)16/h5-6,8,15-16H,3-4,7H2,1-2H3/t8-/m0/s1