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

Systemtic Name: 2-[(3S)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[(3S)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[(3S)-3-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[(3S)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[(3S)-3-[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)C2CCC[NH+](C2)CC(=O)N3CCOCC3

Isomeric SMILES

CCSC1=NN=C(N1C)[C@H]2CCC[NH+](C2)CC(=O)N3CCOCC3

InChI

InChI=1S/C16H27N5O2S/c1-3-24-16-18-17-15(19(16)2)13-5-4-6-20(11-13)12-14(22)21-7-9-23-10-8-21/h13H,3-12H2,1-2H3/p+1/t13-/m0/s1