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

Systemtic Name: [1-(2-chloranylprop-2-enyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [1-(2-chloroallyl)-7-methylsulfanyl-2-oxo-3-quinolyl]methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [1-(2-chloroprop-2-enyl)-7-(methylthio)-2-oxo-3-quinolinyl]methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [1-(2-chloroprop-2-enyl)-7-methylsulfanyl-2-oxoquinolin-3-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [1-(2-chloroallyl)-2-keto-7-(methylthio)-3-quinolyl]methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C20H22ClN2OS2+ MolecularWeight: 405.98448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(=C)Cl

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH2+]CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(=C)Cl

InChI

InChI=1S/C20H21ClN2OS2/c1-13(21)12-23-18-10-17(25-3)7-6-15(18)9-16(20(23)24)11-22-14(2)19-5-4-8-26-19/h4-10,14,22H,1,11-12H2,2-3H3/p+1/t14-/m1/s1