N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C21H28F3N5O2S+2 MolecularWeight: 471.53953

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C21H26F3N5O2S/c22-21(23,24)16-3-4-19(25-14-16)28-5-7-29(8-6-28)20(30)26-15-17(18-2-1-13-32-18)27-9-11-31-12-10-27/h1-4,13-14,17H,5-12,15H2,(H,26,30)/p+2/t17-/m0/s1