(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-14-6-5-7-15(2)21(14)25-20(27)13-26(3)12-17-10-16-8-9-18(28-4)11-19(16)24-22(17)23/h5-11H,12-13H2,1-4H3,(H,25,27)/p+1