2,4-bis(chloranyl)-6-[[3-(2-methylpropoxy)propylazaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[3-(2-methylpropoxy)propylazaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[(3-isobutoxypropylammonio)methyl]phenolate CAS Name: 2,4-dichloro-6-[[3-(2-methylpropoxy)propylammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[3-(2-methylpropoxy)propylazaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[(3-isobutoxypropylammonio)methyl]phenolate Formula: C14H21Cl2NO2 MolecularWeight: 306.22804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21Cl2NO2/c1-10(2)9-19-5-3-4-17-8-11-6-12(15)7-13(16)14(11)18/h6-7,10,17-18H,3-5,8-9H2,1-2H3