2,4-bis(chloranyl)-6-[[[(1S)-1-pyridin-4-ylethyl]azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(1S)-1-pyridin-4-ylethyl]azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(1S)-1-(4-pyridyl)ethyl]ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(1S)-1-pyridin-4-ylethyl]ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(1S)-1-pyridin-4-ylethyl]azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(1S)-1-(4-pyridyl)ethyl]ammonio]methyl]phenolate Formula: C14H14Cl2N2O MolecularWeight: 297.17976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

Isomeric SMILES

C[C@@H](C1=CC=NC=C1)[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

InChI

InChI=1S/C14H14Cl2N2O/c1-9(10-2-4-17-5-3-10)18-8-11-6-12(15)7-13(16)14(11)19/h2-7,9,18-19H,8H2,1H3/t9-/m0/s1