(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl-ethyl-[2-(ethylamino)-2-oxo-ethyl]ammonium CAS Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-ethyl-[2-(ethylamino)-2-oxoethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium Traditional Name: (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl-ethyl-[2-(ethylamino)-2-keto-ethyl]ammonium Formula: C18H24FN2O3S+ MolecularWeight: 367.458163

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+](CC)CC1=C(SC2=CC=CC(=C21)F)C(=O)OCC

Isomeric SMILES

CCNC(=O)C[NH+](CC)CC1=C(SC2=CC=CC(=C21)F)C(=O)OCC

InChI

InChI=1S/C18H23FN2O3S/c1-4-20-15(22)11-21(5-2)10-12-16-13(19)8-7-9-14(16)25-17(12)18(23)24-6-3/h7-9H,4-6,10-11H2,1-3H3,(H,20,22)/p+1