(phenylmethyl)-(pyridin-4-ylmethyl)-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]azanium

Systemtic Name: (phenylmethyl)-(pyridin-4-ylmethyl)-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]azanium Openeye Name: benzyl-(4-pyridylmethyl)-[(5-pyrimidin-2-ylsulfanyl-2-furyl)methyl]ammonium CAS Name: (phenylmethyl)-(pyridin-4-ylmethyl)-[[5-(2-pyrimidinylthio)-2-furanyl]methyl]ammonium IUPAC Name: benzyl-(pyridin-4-ylmethyl)-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]azanium Traditional Name: benzyl-(4-pyridylmethyl)-[[5-(2-pyrimidylthio)-2-furyl]methyl]ammonium Formula: C22H21N4OS+ MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC=C(O3)SC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC=C(O3)SC4=NC=CC=N4

InChI

InChI=1S/C22H20N4OS/c1-2-5-18(6-3-1)15-26(16-19-9-13-23-14-10-19)17-20-7-8-21(27-20)28-22-24-11-4-12-25-22/h1-14H,15-17H2/p+1