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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O3S/c1-5-24-18(23)17-12(9-21(4)10-15(22)20-11(2)3)16-13(19)7-6-8-14(16)25-17/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)/p+1