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

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C21H28BrFNO3+ MolecularWeight: 441.354323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrFNO3/c1-15(2)26-10-4-9-24-13-17-11-19(22)21(20(12-17)25-3)27-14-16-5-7-18(23)8-6-16/h5-8,11-12,15,24H,4,9-10,13-14H2,1-3H3/p+1