(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-14-4-7-17(8-5-14)23-20(26)13-25(2)12-16-10-15-6-9-18(27-3)11-19(15)24-21(16)22/h4-11H,12-13H2,1-3H3,(H,23,26)/p+1