N4-ethyl-1-heptyl-N2,6-dimethyl-N4-phenyl-pyrimidin-1-ium-2,4-diamine chloride

Systemtic Name: N4-ethyl-1-heptyl-N2,6-dimethyl-N4-phenyl-pyrimidin-1-ium-2,4-diamine chloride Openeye Name: N4-ethyl-1-heptyl-N2,6-dimethyl-N4-phenyl-pyrimidin-1-ium-2,4-diamine chloride CAS Name: N4-ethyl-1-heptyl-N2,6-dimethyl-N4-phenylpyrimidin-1-ium-2,4-diamine chloride IUPAC Name: 4-N-ethyl-1-heptyl-2-N,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine chloride Traditional Name: ethyl-[1-heptyl-6-methyl-2-(methylamino)pyrimidin-1-ium-4-yl]-phenyl-amine chloride Formula: C21H33ClN4 MolecularWeight: 376.96652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(N=C(C=C1C)N(CC)C2=CC=CC=C2)NC.[Cl-]

Isomeric SMILES

CCCCCCC[N+]1=C(N=C(C=C1C)N(CC)C2=CC=CC=C2)NC.[Cl-]

InChI

InChI=1S/C21H32N4.ClH/c1-5-7-8-9-13-16-25-18(3)17-20(23-21(25)22-4)24(6-2)19-14-11-10-12-15-19;/h10-12,14-15,17H,5-9,13,16H2,1-4H3;1H