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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-dimethylaminoethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-dimethylaminoethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-dimethylaminoethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-dimethylaminoethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(2-dimethylaminoethyl)ammonium Formula: C20H27BrFN2O2+ MolecularWeight: 426.342983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCN(C)C)Br)OCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCN(C)C)Br)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H26BrFN2O2/c1-4-25-19-12-16(13-23-9-10-24(2)3)11-18(21)20(19)26-14-15-5-7-17(22)8-6-15/h5-8,11-12,23H,4,9-10,13-14H2,1-3H3/p+1