2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-1-morpholino-ethanone Formula: C16H28N5O2S+ MolecularWeight: 354.49082

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CCSC1=NN=C(N1C)C2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C16H27N5O2S/c1-3-24-16-18-17-15(19(16)2)13-4-6-20(7-5-13)12-14(22)21-8-10-23-11-9-21/h13H,3-12H2,1-2H3/p+1