[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C2C=CC(=CC2=N1)SC)C[NH2+]CCC3=CN(N=C3)C

Isomeric SMILES

CC(C)COC1=C(C=C2C=CC(=CC2=N1)SC)C[NH2+]CCC3=CN(N=C3)C

InChI

InChI=1S/C21H28N4OS/c1-15(2)14-26-21-18(12-22-8-7-16-11-23-25(3)13-16)9-17-5-6-19(27-4)10-20(17)24-21/h5-6,9-11,13,15,22H,7-8,12,14H2,1-4H3/p+1