trimethyl-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium dichloride

Systemtic Name: trimethyl-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium dichloride Openeye Name: 4-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]butyl-trimethyl-ammonium dichloride CAS Name: trimethyl-[4-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)butyl]ammonium dichloride IUPAC Name: trimethyl-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]azanium dichloride Traditional Name: 4-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]butyl-trimethyl-ammonium dichloride Formula: C45H88Cl2N2 MolecularWeight: 728.09962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[N+](C)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[N+](C)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C45H88N2.2ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-44(45-38-41-46(42-39-45)40-34-35-43-47(3,4)5)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;;/h38-39,41-42,44H,6-37,40,43H2,1-5H3;2*1H/q+2;;/p-2