1-phenyl-3-propyl-pyridin-1-ium sulfate

Systemtic Name: 1-phenyl-3-propyl-pyridin-1-ium sulfate Openeye Name: 1-phenyl-3-propyl-pyridin-1-ium sulfate CAS Name: 1-phenyl-3-propylpyridin-1-ium sulfate IUPAC Name: 1-phenyl-3-propylpyridin-1-ium sulfate Traditional Name: 1-phenyl-3-propyl-pyridin-1-ium sulfate Formula: C14H16NO4S- MolecularWeight: 294.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](=CC=C1)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC1=C[N+](=CC=C1)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H16N.H2O4S/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14;1-5(2,3)4/h3-6,8-12H,2,7H2,1H3;(H2,1,2,3,4)/q+1;/p-2