[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-hexyl-azanium

Systemtic Name: [3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-hexyl-azanium Openeye Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-hexyl-ammonium CAS Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-hexylammonium IUPAC Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-hexylazanium Traditional Name: [3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]-hexyl-ammonium Formula: C21H28BrFNO2+ MolecularWeight: 425.354923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OC

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OC

InChI

InChI=1S/C21H27BrFNO2/c1-3-4-5-8-11-24-14-16-12-18(22)21(20(13-16)25-2)26-15-17-9-6-7-10-19(17)23/h6-7,9-10,12-13,24H,3-5,8,11,14-15H2,1-2H3/p+1