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

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=CC=C(C=C3)SC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=CC=C(C=C3)SC)C(=O)OC

InChI

InChI=1S/C22H24N2O2S/c1-15-18-7-5-6-8-19(18)23-20(21(15)22(25)26-3)14-24(2)13-16-9-11-17(27-4)12-10-16/h5-12H,13-14H2,1-4H3/p+1