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

Systemtic Name: (4-methylphenyl)methyl-(pyridin-4-ylmethyl)-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]azanium Openeye Name: p-tolylmethyl-(4-pyridylmethyl)-[(5-pyrimidin-2-ylsulfanyl-2-furyl)methyl]ammonium CAS Name: (4-methylphenyl)methyl-(pyridin-4-ylmethyl)-[[5-(2-pyrimidinylthio)-2-furanyl]methyl]ammonium IUPAC Name: (4-methylphenyl)methyl-(pyridin-4-ylmethyl)-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]azanium Traditional Name: (4-methylbenzyl)-(4-pyridylmethyl)-[[5-(2-pyrimidylthio)-2-furyl]methyl]ammonium Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC=C(O3)SC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC=C(O3)SC4=NC=CC=N4

InChI

InChI=1S/C23H22N4OS/c1-18-3-5-19(6-4-18)15-27(16-20-9-13-24-14-10-20)17-21-7-8-22(28-21)29-23-25-11-2-12-26-23/h2-14H,15-17H2,1H3/p+1