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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-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=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25BrFNO2/c1-2-25-20-12-16(13-24-18-5-3-4-6-18)11-19(22)21(20)26-14-15-7-9-17(23)10-8-15/h7-12,18,24H,2-6,13-14H2,1H3/p+1