N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]ethyl]-2-furamide Formula: C16H24N5O3S+ MolecularWeight: 366.45846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3=CC=CO3

InChI

InChI=1S/C16H23N5O3S/c1-20-14(4-5-17-15(22)13-3-2-9-24-13)18-19-16(20)25-12-8-21-6-10-23-11-7-21/h2-3,9H,4-8,10-12H2,1H3,(H,17,22)/p+1