[1-(2-chloranylprop-2-enyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [1-(2-chloranylprop-2-enyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [1-(2-chloroallyl)-7-methylsulfanyl-2-oxo-3-quinolyl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [1-(2-chloroprop-2-enyl)-7-(methylthio)-2-oxo-3-quinolinyl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [1-(2-chloroprop-2-enyl)-7-methylsulfanyl-2-oxoquinolin-3-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [1-(2-chloroallyl)-2-keto-7-(methylthio)-3-quinolyl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(=C)Cl

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(=C)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-16(23)14-26-21-13-20(28-3)8-7-17(21)12-18(22(26)27)15-25(2)11-9-19-6-4-5-10-24-19/h4-8,10,12-13H,1,9,11,14-15H2,2-3H3/p+1