2,4-bis(chloranyl)-6-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(1R)-1-methyl-3-phenyl-propyl]ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(2R)-4-phenylbutan-2-yl]ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(2R)-4-phenylbutan-2-yl]azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(1R)-1-methyl-3-phenyl-propyl]ammonio]methyl]phenolate Formula: C17H19Cl2NO MolecularWeight: 324.24486

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

InChI

InChI=1S/C17H19Cl2NO/c1-12(7-8-13-5-3-2-4-6-13)20-11-14-9-15(18)10-16(19)17(14)21/h2-6,9-10,12,20-21H,7-8,11H2,1H3/t12-/m1/s1