3-chloranyl-6-fluoranyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzothiophene-2-carboxamide Formula: C22H23ClFN2O2S+ MolecularWeight: 433.946623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN2O2S/c1-14(20(15-5-3-2-4-6-15)26-9-11-28-12-10-26)25-22(27)21-19(23)17-8-7-16(24)13-18(17)29-21/h2-8,13-14,20H,9-12H2,1H3,(H,25,27)/p+1/t14-,20-/m1/s1