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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]-methyl-azanium Openeye Name: [2-(dimethylamino)-2-oxo-ethyl]-[(2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl]-methyl-ammonium CAS Name: [2-(dimethylamino)-2-oxoethyl]-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-methylammonium IUPAC Name: [2-(dimethylamino)-2-oxoethyl]-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl-[2-(dimethylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H22FN2O3S+ MolecularWeight: 353.431583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC(=O)N(C)C

InChI

InChI=1S/C17H21FN2O3S/c1-5-23-17(22)16-11(9-20(4)10-14(21)19(2)3)15-12(18)7-6-8-13(15)24-16/h6-8H,5,9-10H2,1-4H3/p+1