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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-methyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-methyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-methyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C22H26ClN2O3S+ MolecularWeight: 433.97144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3S/c1-25(12-15-7-9-19(26-2)21(28-4)20(15)27-3)13-16-10-14-6-8-17(29-5)11-18(14)24-22(16)23/h6-11H,12-13H2,1-5H3/p+1