3-[[5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium

Systemtic Name: 3-[[5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium Openeye Name: 3-[[5-[(3-isopropylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propylammonium CAS Name: 3-[[5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propylammonium IUPAC Name: 3-[[5-[(3-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium Traditional Name: 3-[[5-[(3-isopropylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propylammonium Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC2=NN=C(O2)SCCC[NH3+]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OCC2=NN=C(O2)SCCC[NH3+]

InChI

InChI=1S/C15H21N3O2S/c1-11(2)12-5-3-6-13(9-12)19-10-14-17-18-15(20-14)21-8-4-7-16/h3,5-6,9,11H,4,7-8,10,16H2,1-2H3/p+1