(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-[2-(dimethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-[2-(dimethylamino)-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[2-(dimethylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[2-(dimethylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H21ClN3OS+ MolecularWeight: 338.87544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)N(C)C

Isomeric SMILES

C[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)N(C)C

InChI

InChI=1S/C16H20ClN3OS/c1-19(2)15(21)10-20(3)9-12-7-11-5-6-13(22-4)8-14(11)18-16(12)17/h5-8H,9-10H2,1-4H3/p+1