2-(2-fluoranylphenoxy)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-(2-fluorophenoxy)ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-(2-fluorophenoxy)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(2-fluorophenoxy)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 2-(2-fluorophenoxy)ethyl-vanillyl-ammonium Formula: C16H19FNO3+ MolecularWeight: 292.325363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CC=CC=C2F)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CC=CC=C2F)O

InChI

InChI=1S/C16H18FNO3/c1-20-16-10-12(6-7-14(16)19)11-18-8-9-21-15-5-3-2-4-13(15)17/h2-7,10,18-19H,8-9,11H2,1H3/p+1