(2,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (2,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: (2,4-dimethoxyphenyl)methyl-[[4-(methylthio)phenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2,4-dimethoxybenzyl)-[4-(methylthio)benzyl]-(4-pyridylmethyl)ammonium Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+](CC2=CC=C(C=C2)SC)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+](CC2=CC=C(C=C2)SC)CC3=CC=NC=C3)OC

InChI

InChI=1S/C23H26N2O2S/c1-26-21-7-6-20(23(14-21)27-2)17-25(16-19-10-12-24-13-11-19)15-18-4-8-22(28-3)9-5-18/h4-14H,15-17H2,1-3H3/p+1