(2-ethylsulfanylpyrimidin-5-yl)methyl-(furan-2-ylmethyl)-(pyridin-2-ylmethyl)azanium

Systemtic Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-(furan-2-ylmethyl)-(pyridin-2-ylmethyl)azanium Openeye Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-(2-furylmethyl)-(2-pyridylmethyl)ammonium CAS Name: [2-(ethylthio)-5-pyrimidinyl]methyl-(2-furanylmethyl)-(2-pyridinylmethyl)ammonium IUPAC Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-(furan-2-ylmethyl)-(pyridin-2-ylmethyl)azanium Traditional Name: [2-(ethylthio)pyrimidin-5-yl]methyl-(2-furfuryl)-(2-pyridylmethyl)ammonium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH+](CC2=CC=CC=N2)CC3=CC=CO3

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH+](CC2=CC=CC=N2)CC3=CC=CO3

InChI

InChI=1S/C18H20N4OS/c1-2-24-18-20-10-15(11-21-18)12-22(14-17-7-5-9-23-17)13-16-6-3-4-8-19-16/h3-11H,2,12-14H2,1H3/p+1