methyl-(phenylmethyl)-[2-[(2-pyrimidin-2-ylsulfanylethanoylamino)methyl]-1,3-dihydroinden-2-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[2-[(2-pyrimidin-2-ylsulfanylethanoylamino)methyl]-1,3-dihydroinden-2-yl]azanium Openeye Name: benzyl-methyl-[2-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]indan-2-yl]ammonium CAS Name: methyl-[2-[[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]methyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]-1,3-dihydroinden-2-yl]azanium Traditional Name: benzyl-methyl-[2-[[[2-(2-pyrimidylthio)acetyl]amino]methyl]indan-2-yl]ammonium Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C24H26N4OS/c1-28(16-19-8-3-2-4-9-19)24(14-20-10-5-6-11-21(20)15-24)18-27-22(29)17-30-23-25-12-7-13-26-23/h2-13H,14-18H2,1H3,(H,27,29)/p+1