tri(octadecan-9-yl)-(1-phenyltridecyl)azanium chloride

Systemtic Name: tri(octadecan-9-yl)-(1-phenyltridecyl)azanium chloride Openeye Name: tris(1-octyldecyl)-(1-phenyltridecyl)ammonium chloride CAS Name: tri(octadecan-9-yl)-(1-phenyltridecyl)ammonium chloride IUPAC Name: tri(octadecan-9-yl)-(1-phenyltridecyl)azanium chloride Traditional Name: tris(1-octyldecyl)-(1-phenyltridecyl)ammonium chloride Formula: C73H142ClN MolecularWeight: 1069.36828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C(CCCCCCCC)CCCCCCCCC)(C(CCCCCCCC)CCCCCCCCC)C(CCCCCCCC)CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C(CCCCCCCC)CCCCCCCCC)(C(CCCCCCCC)CCCCCCCCC)C(CCCCCCCC)CCCCCCCCC.[Cl-]

InChI

InChI=1S/C73H142N.ClH/c1-8-15-22-29-36-37-38-42-49-59-68-73(69-60-51-50-52-61-69)74(70(62-53-43-33-26-19-12-5)65-56-46-39-30-23-16-9-2,71(63-54-44-34-27-20-13-6)66-57-47-40-31-24-17-10-3)72(64-55-45-35-28-21-14-7)67-58-48-41-32-25-18-11-4;/h50-52,60-61,70-73H,8-49,53-59,62-68H2,1-7H3;1H/q+1;/p-1