(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC(=O)NC3=CC=CC=C3SC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC(=O)NC3=CC=CC=C3SC)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-15-16-9-5-6-10-17(16)24-19(22(15)23(28)29-3)13-26(2)14-21(27)25-18-11-7-8-12-20(18)30-4/h5-12H,13-14H2,1-4H3,(H,25,27)/p+1