(2-ethylsulfanylpyrimidin-5-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H24N4S/c1-2-26-21-23-14-20(15-24-21)17-25(16-19-8-11-22-12-9-19)13-10-18-6-4-3-5-7-18/h3-9,11-12,14-15H,2,10,13,16-17H2,1H3/p+1