(2-chloranyl-7-methoxy-quinolin-3-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (2-chloro-7-methoxy-3-quinolinyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (2-chloro-7-methoxy-3-quinolyl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(N=C2C=C(C=CC2=C1)OC)Cl)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CC1=C(N=C2C=C(C=CC2=C1)OC)Cl)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H22ClN3O2S/c1-25(13-20(26)23-17-6-4-5-7-19(17)28-3)12-15-10-14-8-9-16(27-2)11-18(14)24-21(15)22/h4-11H,12-13H2,1-3H3,(H,23,26)/p+1