(4-methyl-1,2,5-oxadiazol-3-yl)methyl-[[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]azanium

Systemtic Name: (4-methyl-1,2,5-oxadiazol-3-yl)methyl-[[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]azanium Openeye Name: (2-isobutoxy-7-methylsulfanyl-3-quinolyl)methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ammonium CAS Name: (4-methyl-1,2,5-oxadiazol-3-yl)methyl-[[2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methyl]ammonium IUPAC Name: (4-methyl-1,2,5-oxadiazol-3-yl)methyl-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]azanium Traditional Name: [2-isobutoxy-7-(methylthio)-3-quinolyl]methyl-[(4-methylfurazan-3-yl)methyl]ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NON=C1C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

Isomeric SMILES

CC1=NON=C1C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

InChI

InChI=1S/C19H24N4O2S/c1-12(2)11-24-19-15(9-20-10-18-13(3)22-25-23-18)7-14-5-6-16(26-4)8-17(14)21-19/h5-8,12,20H,9-11H2,1-4H3/p+1