2-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H22ClFN3O2S+ MolecularWeight: 410.913283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C19H21ClFN3O2S/c20-17-14-4-3-13(21)11-15(14)27-18(17)19(26)24-9-7-22(8-10-24)12-16(25)23-5-1-2-6-23/h3-4,11H,1-2,5-10,12H2/p+1