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

Systemtic Name: (1,5-dimethylpyrazol-4-yl)methyl-[[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]azanium Openeye Name: (1,5-dimethylpyrazol-4-yl)methyl-[(2-isobutoxy-7-methylsulfanyl-3-quinolyl)methyl]ammonium CAS Name: (1,5-dimethyl-4-pyrazolyl)methyl-[[2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methyl]ammonium IUPAC Name: (1,5-dimethylpyrazol-4-yl)methyl-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]azanium Traditional Name: (1,5-dimethylpyrazol-4-yl)methyl-[[2-isobutoxy-7-(methylthio)-3-quinolyl]methyl]ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

Isomeric SMILES

CC1=C(C=NN1C)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

InChI

InChI=1S/C21H28N4OS/c1-14(2)13-26-21-17(10-22-11-18-12-23-25(4)15(18)3)8-16-6-7-19(27-5)9-20(16)24-21/h6-9,12,14,22H,10-11,13H2,1-5H3/p+1