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

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-pentyl-azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-pentyl-ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-pentylammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-pentylazanium Traditional Name: amyl-[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]ammonium Formula: C20H26BrFNO2+ MolecularWeight: 411.328343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrFNO2/c1-3-4-5-10-23-13-16-11-18(21)20(19(12-16)24-2)25-14-15-6-8-17(22)9-7-15/h6-9,11-12,23H,3-5,10,13-14H2,1-2H3/p+1