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

Systemtic Name: [3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C20H26BrFNO3+ MolecularWeight: 427.327743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrFNO3/c1-3-25-10-6-9-23-13-15-11-17(21)20(19(12-15)24-2)26-14-16-7-4-5-8-18(16)22/h4-5,7-8,11-12,23H,3,6,9-10,13-14H2,1-2H3/p+1