4-[[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[2-[(2,4-dichlorophenyl)methoxy]-1-naphthyl]methylammonio]methyl]benzoate CAS Name: 4-[[[2-[(2,4-dichlorophenyl)methoxy]-1-naphthalenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[2-(2,4-dichlorobenzyl)oxy-1-naphthyl]methylammonio]methyl]benzoate Formula: C26H21Cl2NO3 MolecularWeight: 466.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])OCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H21Cl2NO3/c27-21-11-9-20(24(28)13-21)16-32-25-12-10-18-3-1-2-4-22(18)23(25)15-29-14-17-5-7-19(8-6-17)26(30)31/h1-13,29H,14-16H2,(H,30,31)