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

Systemtic Name: [3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-bromo-4-(2-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=CC=C2F)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrFNO3/c1-15(2)26-10-6-9-24-13-16-11-18(22)21(20(12-16)25-3)27-14-17-7-4-5-8-19(17)23/h4-5,7-8,11-12,15,24H,6,9-10,13-14H2,1-3H3/p+1