[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-fluorophenyl)ethyl]azanium

Systemtic Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-fluorophenyl)ethyl]azanium Openeye Name: [3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-[2-(4-fluorophenyl)ethyl]ammonium CAS Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-fluorophenyl)ethyl]ammonium IUPAC Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-fluorophenyl)ethyl]azanium Traditional Name: [3-ethoxy-4-(2-thenyloxy)benzyl]-[2-(4-fluorophenyl)ethyl]ammonium Formula: C22H25FNO2S+ MolecularWeight: 386.502803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)F)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)F)OCC3=CC=CS3

InChI

InChI=1S/C22H24FNO2S/c1-2-25-22-14-18(7-10-21(22)26-16-20-4-3-13-27-20)15-24-12-11-17-5-8-19(23)9-6-17/h3-10,13-14,24H,2,11-12,15-16H2,1H3/p+1