N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C18H28F3N5OS+2 MolecularWeight: 419.50803

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H26F3N5OS/c19-18(20,21)15-2-3-16(23-14-15)25-6-8-26(9-7-25)17(28)22-4-1-5-24-10-12-27-13-11-24/h2-3,14H,1,4-13H2,(H,22,28)/p+2