(2-ethylsulfanylpyrimidin-5-yl)methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-(p-tolylmethyl)-(4-pyridylmethyl)ammonium CAS Name: [2-(ethylthio)-5-pyrimidinyl]methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(ethylthio)pyrimidin-5-yl]methyl-(4-methylbenzyl)-(4-pyridylmethyl)ammonium Formula: C21H25N4S+ MolecularWeight: 365.515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH+](CC2=CC=C(C=C2)C)CC3=CC=NC=C3

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH+](CC2=CC=C(C=C2)C)CC3=CC=NC=C3

InChI

InChI=1S/C21H24N4S/c1-3-26-21-23-12-20(13-24-21)16-25(15-19-8-10-22-11-9-19)14-18-6-4-17(2)5-7-18/h4-13H,3,14-16H2,1-2H3/p+1