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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-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=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC3=CC=CC=C3F

InChI

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