2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-methyl-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O2S/c1-22-16(13-23-9-11-25-12-10-23)20-21-18(22)26-14-17(24)19-8-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,24)/p+1