(4-carboxyphenyl)methyl-[(5-chloranyl-2-methoxy-phenyl)methyl]azanium chloride

Systemtic Name: (4-carboxyphenyl)methyl-[(5-chloranyl-2-methoxy-phenyl)methyl]azanium chloride Openeye Name: (4-carboxyphenyl)methyl-[(5-chloro-2-methoxy-phenyl)methyl]ammonium chloride CAS Name: (4-carboxyphenyl)methyl-[(5-chloro-2-methoxyphenyl)methyl]ammonium chloride IUPAC Name: (4-carboxyphenyl)methyl-[(5-chloro-2-methoxyphenyl)methyl]azanium chloride Traditional Name: (4-carboxybenzyl)-(5-chloro-2-methoxy-benzyl)ammonium chloride Formula: C16H17Cl2NO3 MolecularWeight: 342.21708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH2+]CC2=CC=C(C=C2)C(=O)O.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH2+]CC2=CC=C(C=C2)C(=O)O.[Cl-]

InChI

InChI=1S/C16H16ClNO3.ClH/c1-21-15-7-6-14(17)8-13(15)10-18-9-11-2-4-12(5-3-11)16(19)20;/h2-8,18H,9-10H2,1H3,(H,19,20);1H