(3,5-dimethoxyphenyl)methyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]azanium

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]ammonium Formula: C27H29N2O3S+ MolecularWeight: 461.59576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)C[NH2+]CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)C[NH2+]CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C27H28N2O3S/c1-30-22-8-5-19(6-9-22)27-21(13-20-7-10-25(33-4)15-26(20)29-27)17-28-16-18-11-23(31-2)14-24(12-18)32-3/h5-15,28H,16-17H2,1-4H3/p+1