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

Systemtic Name: 4-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C16H22N4O2S/c1-19-15(13-20-7-9-21-10-8-20)17-18-16(19)23-12-11-22-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3/p+1