N-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S,2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]thiophene-2-carboxamide CAS Name: N-[(1S,2S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S,2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]thiophene-2-carboxamide Formula: C22H25FN3OS2+ MolecularWeight: 430.581803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3F)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H24FN3OS2/c1-16(24-22(27)20-9-5-15-29-20)21(19-8-4-14-28-19)26-12-10-25(11-13-26)18-7-3-2-6-17(18)23/h2-9,14-16,21H,10-13H2,1H3,(H,24,27)/p+1/t16-,21-/m0/s1