1-[[5-methyl-4-(2-morpholin-4-ium-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-methyl-4-(2-morpholin-4-ium-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-methyl-4-(2-morpholin-4-ium-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-methyl-4-[2-(4-morpholin-4-iumyl)ethyl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-methyl-4-(2-morpholin-4-ium-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-methyl-4-(2-morpholin-4-ium-4-ylethyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C12H21N4O2S+ MolecularWeight: 285.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC[NH+]2CCOCC2)SCC(=O)C

Isomeric SMILES

CC1=NN=C(N1CC[NH+]2CCOCC2)SCC(=O)C

InChI

InChI=1S/C12H20N4O2S/c1-10(17)9-19-12-14-13-11(2)16(12)4-3-15-5-7-18-8-6-15/h3-9H2,1-2H3/p+1