N6-ethyl-3-heptyl-N2,4-dimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine

Systemtic Name: N6-ethyl-3-heptyl-N2,4-dimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine Openeye Name: N6-ethyl-3-heptyl-N2,4-dimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine CAS Name: N6-ethyl-3-heptyl-N2,4-dimethyl-N6-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine IUPAC Name: 6-N-ethyl-3-heptyl-2-N,4-dimethyl-6-N-phenyl-1,4-dihydropyrimidin-3-ium-2,6-diamine Traditional Name: ethyl-[3-heptyl-4-methyl-2-(methylamino)-1,4-dihydropyrimidin-3-ium-6-yl]-phenyl-amine Formula: C21H35N4+ MolecularWeight: 343.5294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC(=CC1C)N(CC)C2=CC=CC=C2)NC

Isomeric SMILES

CCCCCCC[N+]1=C(NC(=CC1C)N(CC)C2=CC=CC=C2)NC

InChI

InChI=1S/C21H34N4/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/h10-12,14-15,17-18H,5-9,13,16H2,1-4H3,(H,22,23)/p+1