[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium

Systemtic Name: [2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Openeye Name: [2-(2-chloroallyloxy)-7-methylsulfanyl-3-quinolyl]methyl-[(5-methylpyrazin-2-yl)methyl]ammonium CAS Name: [2-(2-chloroprop-2-enoxy)-7-(methylthio)-3-quinolinyl]methyl-[(5-methyl-2-pyrazinyl)methyl]ammonium IUPAC Name: [2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Traditional Name: [2-(2-chloroallyloxy)-7-(methylthio)-3-quinolyl]methyl-[(5-methylpyrazin-2-yl)methyl]ammonium Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(=C)Cl

Isomeric SMILES

CC1=CN=C(C=N1)C[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)OCC(=C)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-13(21)12-26-20-16(9-22-10-17-11-23-14(2)8-24-17)6-15-4-5-18(27-3)7-19(15)25-20/h4-8,11,22H,1,9-10,12H2,2-3H3/p+1