[3-chloranyl-4-[2-(4-fluoranylphenoxy)ethoxy]-5-methoxy-phenyl]methylazanium

Systemtic Name: [3-chloranyl-4-[2-(4-fluoranylphenoxy)ethoxy]-5-methoxy-phenyl]methylazanium Openeye Name: [3-chloro-4-[2-(4-fluorophenoxy)ethoxy]-5-methoxy-phenyl]methylammonium CAS Name: [3-chloro-4-[2-(4-fluorophenoxy)ethoxy]-5-methoxyphenyl]methylammonium IUPAC Name: [3-chloro-4-[2-(4-fluorophenoxy)ethoxy]-5-methoxyphenyl]methylazanium Traditional Name: [3-chloro-4-[2-(4-fluorophenoxy)ethoxy]-5-methoxy-benzyl]ammonium Formula: C16H18ClFNO3+ MolecularWeight: 326.770423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH3+])Cl)OCCOC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH3+])Cl)OCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C16H17ClFNO3/c1-20-15-9-11(10-19)8-14(17)16(15)22-7-6-21-13-4-2-12(18)3-5-13/h2-5,8-9H,6-7,10,19H2,1H3/p+1