2-[(3-chloranyl-4-fluoranyl-phenyl)-[(4-methoxyphenyl)methyl]amino]ethylazanium

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-[(4-methoxyphenyl)methyl]amino]ethylazanium Openeye Name: 2-[3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]anilino]ethylammonium CAS Name: 2-[3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]anilino]ethylammonium IUPAC Name: 2-[3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]anilino]ethylazanium Traditional Name: 2-(3-chloro-4-fluoro-N-p-anisyl-anilino)ethylammonium Formula: C16H19ClFN2O+ MolecularWeight: 309.786263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClFN2O/c1-21-14-5-2-12(3-6-14)11-20(9-8-19)13-4-7-16(18)15(17)10-13/h2-7,10H,8-9,11,19H2,1H3/p+1