3-chloranyl-6-fluoranyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C22H23ClFN2O2S+ MolecularWeight: 433.946623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[NH+]4CCCC4

InChI

InChI=1S/C22H22ClFN2O2S/c1-28-16-6-4-5-14(11-16)18(26-9-2-3-10-26)13-25-22(27)21-20(23)17-8-7-15(24)12-19(17)29-21/h4-8,11-12,18H,2-3,9-10,13H2,1H3,(H,25,27)/p+1/t18-/m0/s1