[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]azanium

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]azanium Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ammonium CAS Name: [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]ammonium IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]azanium Traditional Name: [2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-[2-pyrrolidino-5-(trifluoromethyl)phenyl]ammonium Formula: C22H26F3N4O2S+ MolecularWeight: 467.52765

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[NH2+]CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[NH2+]CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H25F3N4O2S/c23-22(24,25)16-5-6-18(27-7-1-2-8-27)17(14-16)26-15-20(30)28-9-11-29(12-10-28)21(31)19-4-3-13-32-19/h3-6,13-14,26H,1-2,7-12,15H2/p+1