(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C21H25ClN3S+ MolecularWeight: 386.9613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3S/c1-24(2)18-8-5-15(6-9-18)13-25(3)14-17-11-16-7-10-19(26-4)12-20(16)23-21(17)22/h5-12H,13-14H2,1-4H3/p+1