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

Systemtic Name: 2-[[[(2S)-butan-2-yl]azaniumyl]methyl]-4,6-bis(chloranyl)phenolate Openeye Name: 2,4-dichloro-6-[[[(1S)-1-methylpropyl]ammonio]methyl]phenolate CAS Name: 2-[[[(2S)-butan-2-yl]ammonio]methyl]-4,6-dichlorophenolate IUPAC Name: 2-[[[(2S)-butan-2-yl]azaniumyl]methyl]-4,6-dichlorophenolate Traditional Name: 2,4-dichloro-6-[[[(1S)-1-methylpropyl]ammonio]methyl]phenolate Formula: C11H15Cl2NO MolecularWeight: 248.1489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15Cl2NO/c1-3-7(2)14-6-8-4-9(12)5-10(13)11(8)15/h4-5,7,14-15H,3,6H2,1-2H3/t7-/m0/s1