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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

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