N3,N5-dihexadecyl-1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxamide dibromide

Systemtic Name: N3,N5-dihexadecyl-1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxamide dibromide Openeye Name: N3,N5-dihexadecyl-1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxamide dibromide CAS Name: N3,N5-dihexadecyl-1-hexyl-4-phenyl-2,6-bis(1-pyridin-1-iumylmethyl)-4H-pyridine-3,5-dicarboxamide dibromide IUPAC Name: 3-N,5-N-dihexadecyl-1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxamide dibromide Traditional Name: N,N'-dicetyl-1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxamide dibromide Formula: C63H101Br2N5O2 MolecularWeight: 1120.31634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)NCCCCCCCCCCCCCCCC)C[N+]3=CC=CC=C3)CCCCCC)C[N+]4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)NCCCCCCCCCCCCCCCC)C[N+]3=CC=CC=C3)CCCCCC)C[N+]4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C63H99N5O2.2BrH/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-38-47-64-62(69)60-57(54-66-49-40-34-41-50-66)68(53-44-12-9-6-3)58(55-67-51-42-35-43-52-67)61(59(60)56-45-36-33-37-46-56)63(70)65-48-39-32-30-28-26-24-22-20-18-16-14-11-8-5-2;;/h33-37,40-43,45-46,49-52,59H,4-32,38-39,44,47-48,53-55H2,1-3H3;2*1H