[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C22H27ClFN2O4S+ MolecularWeight: 469.977183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[NH+]4CCOCC4

InChI

InChI=1S/C22H26ClFN2O4S/c23-19-16-5-4-15(24)12-17(16)31-20(19)21(28)30-13-18(27)25-14-22(6-2-1-3-7-22)26-8-10-29-11-9-26/h4-5,12H,1-3,6-11,13-14H2,(H,25,27)/p+1