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

Systemtic Name: 2,4-bis(chloranyl)-6-[(3-phenylpropylazaniumyl)methyl]phenolate Openeye Name: 2,4-dichloro-6-[(3-phenylpropylammonio)methyl]phenolate CAS Name: 2,4-dichloro-6-[(3-phenylpropylammonio)methyl]phenolate IUPAC Name: 2,4-dichloro-6-[(3-phenylpropylazaniumyl)methyl]phenolate Traditional Name: 2,4-dichloro-6-[(3-phenylpropylammonio)methyl]phenolate Formula: C16H17Cl2NO MolecularWeight: 310.21828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2NO/c17-14-9-13(16(20)15(18)10-14)11-19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,19-20H,4,7-8,11H2