hydrogen sulfate; 4-methyl-1,3-diphenyl-pyrimidin-1-ium-2-one

Systemtic Name: hydrogen sulfate; 4-methyl-1,3-diphenyl-pyrimidin-1-ium-2-one Openeye Name: hydrogen sulfate; 4-methyl-1,3-diphenyl-pyrimidin-1-ium-2-one CAS Name: hydrogen sulfate; 4-methyl-1,3-diphenyl-2-pyrimidin-1-iumone IUPAC Name: hydrogen sulfate; 4-methyl-1,3-diphenylpyrimidin-1-ium-2-one Traditional Name: 4-methyl-1,3-diphenyl-pyrimidin-1-ium-2-one bisulfate Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H15N2O.H2O4S/c1-14-12-13-18(15-8-4-2-5-9-15)17(20)19(14)16-10-6-3-7-11-16;1-5(2,3)4/h2-13H,1H3;(H2,1,2,3,4)/q+1;/p-1