2-heptadecyl-N,1,3-triphenyl-imidazol-1-ium-4-amine chloride

Systemtic Name: 2-heptadecyl-N,1,3-triphenyl-imidazol-1-ium-4-amine chloride Openeye Name: 2-heptadecyl-N,1,3-triphenyl-imidazol-1-ium-4-amine chloride CAS Name: 2-heptadecyl-N,1,3-triphenyl-4-imidazol-1-iumamine chloride IUPAC Name: 2-heptadecyl-N,1,3-triphenylimidazol-1-ium-4-amine chloride Traditional Name: (2-heptadecyl-1,3-diphenyl-imidazol-1-ium-4-yl)-phenyl-amine chloride Formula: C38H52ClN3 MolecularWeight: 586.29258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](C=C(N1C2=CC=CC=C2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](C=C(N1C2=CC=CC=C2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C38H52N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-38-40(35-28-21-17-22-29-35)33-37(39-34-26-19-16-20-27-34)41(38)36-30-23-18-24-31-36;/h16-24,26-31,33,39H,2-15,25,32H2,1H3;1H/q+1;/p-1