[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-ethyl-azanium

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-ethyl-azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-ethyl-ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-ethylammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-ethylazanium Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-ethyl-ammonium Formula: C17H20BrFNO2+ MolecularWeight: 369.248603

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OC

Isomeric SMILES

CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C17H19BrFNO2/c1-3-20-10-13-8-15(18)17(16(9-13)21-2)22-11-12-4-6-14(19)7-5-12/h4-9,20H,3,10-11H2,1-2H3/p+1