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

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(2S)-2-phenylpropyl]azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(2S)-2-phenylpropyl]ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(2S)-2-phenylpropyl]ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(2S)-2-phenylpropyl]azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(2S)-2-phenylpropyl]ammonio]methyl]phenolate Formula: C16H17Cl2NO MolecularWeight: 310.21828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl)C2=CC=CC=C2

InChI

InChI=1S/C16H17Cl2NO/c1-11(12-5-3-2-4-6-12)9-19-10-13-7-14(17)8-15(18)16(13)20/h2-8,11,19-20H,9-10H2,1H3/t11-/m1/s1