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

Systemtic Name: [2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(2-chloroallyloxy)-7-methylsulfanyl-3-quinolyl]methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [2-(2-chloroprop-2-enoxy)-7-(methylthio)-3-quinolinyl]methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(2-chloroallyloxy)-7-(methylthio)-3-quinolyl]methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C19H22ClN4OS+ MolecularWeight: 389.92218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(=C)Cl

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(=C)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-13(20)12-25-19-16(10-21-8-14-9-22-24(2)11-14)6-15-4-5-17(26-3)7-18(15)23-19/h4-7,9,11,21H,1,8,10,12H2,2-3H3/p+1