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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-cyclopentyl-ammonium Formula: C21H26BrFNO2+ MolecularWeight: 423.339043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C21H25BrFNO2/c1-2-25-20-12-15(13-24-17-8-4-5-9-17)11-18(22)21(20)26-14-16-7-3-6-10-19(16)23/h3,6-7,10-12,17,24H,2,4-5,8-9,13-14H2,1H3/p+1