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

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-(3-butoxypropyl)ammonium Formula: C22H30BrFNO3+ MolecularWeight: 455.380903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrFNO3/c1-3-4-11-27-12-5-10-25-15-18-13-20(23)22(21(14-18)26-2)28-16-17-6-8-19(24)9-7-17/h6-9,13-14,25H,3-5,10-12,15-16H2,1-2H3/p+1