(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C22H24FN2O3S+ MolecularWeight: 415.500963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC3=CC=C(C=C3)C(=O)NC

InChI

InChI=1S/C22H23FN2O3S/c1-4-28-22(27)20-16(19-17(23)6-5-7-18(19)29-20)13-25(3)12-14-8-10-15(11-9-14)21(26)24-2/h5-11H,4,12-13H2,1-3H3,(H,24,26)/p+1