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

Systemtic Name: 4-[[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[2-[(4-fluorophenyl)methoxy]-1-naphthyl]methylammonio]methyl]benzoate CAS Name: 4-[[[2-[(4-fluorophenyl)methoxy]-1-naphthalenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[2-(4-fluorobenzyl)oxy-1-naphthyl]methylammonio]methyl]benzoate Formula: C26H22FNO3 MolecularWeight: 415.456183

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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=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H22FNO3/c27-22-12-7-19(8-13-22)17-31-25-14-11-20-3-1-2-4-23(20)24(25)16-28-15-18-5-9-21(10-6-18)26(29)30/h1-14,28H,15-17H2,(H,29,30)