2,4-bis(chloranyl)-6-[[[(2S)-5-methylhexan-2-yl]azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(2S)-5-methylhexan-2-yl]azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(1S)-1,4-dimethylpentyl]ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(2S)-5-methylhexan-2-yl]ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(2S)-5-methylhexan-2-yl]azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(1S)-1,4-dimethylpentyl]ammonio]methyl]phenolate Formula: C14H21Cl2NO MolecularWeight: 290.22864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21Cl2NO/c1-9(2)4-5-10(3)17-8-11-6-12(15)7-13(16)14(11)18/h6-7,9-10,17-18H,4-5,8H2,1-3H3/t10-/m0/s1