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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(2-thenyl)ammonium Formula: C21H22BrFNO2S+ MolecularWeight: 451.372283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21BrFNO2S/c1-2-25-20-11-16(12-24-13-18-4-3-9-27-18)10-19(22)21(20)26-14-15-5-7-17(23)8-6-15/h3-11,24H,2,12-14H2,1H3/p+1