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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)C[NH2+]CCN3C=CN=C3)OCC(=C)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)C[NH2+]CCN3C=CN=C3)OCC(=C)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-14(20)12-25-19-16(11-21-5-7-24-8-6-22-13-24)9-15-3-4-17(26-2)10-18(15)23-19/h3-4,6,8-10,13,21H,1,5,7,11-12H2,2H3/p+1