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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C17H26F3N5OS+2 MolecularWeight: 405.48145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24F3N5OS/c18-17(19,20)14-1-2-15(22-13-14)24-5-7-25(8-6-24)16(27)21-3-4-23-9-11-26-12-10-23/h1-2,13H,3-12H2,(H,21,27)/p+2