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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]-methyl-azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-[(2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl]-methyl-ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-methylammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-methylazanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-[(2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl]-methyl-ammonium Formula: C19H26FN2O3S+ MolecularWeight: 381.484743

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN2O3S/c1-6-25-18(24)17-12(16-13(20)8-7-9-14(16)26-17)10-22(5)11-15(23)21-19(2,3)4/h7-9H,6,10-11H2,1-5H3,(H,21,23)/p+1