triphenyl-[12-[3-(13-phenylmethoxytridecyl)pyridin-1-ium-1-yl]dodecyl]phosphanium

Systemtic Name: triphenyl-[12-[3-(13-phenylmethoxytridecyl)pyridin-1-ium-1-yl]dodecyl]phosphanium Openeye Name: 12-[3-(13-benzyloxytridecyl)pyridin-1-ium-1-yl]dodecyl-triphenyl-phosphonium CAS Name: triphenyl-[12-[3-(13-phenylmethoxytridecyl)-1-pyridin-1-iumyl]dodecyl]phosphonium IUPAC Name: triphenyl-[12-[3-(13-phenylmethoxytridecyl)pyridin-1-ium-1-yl]dodecyl]phosphanium Traditional Name: 12-[3-(13-benzoxytridecyl)pyridin-1-ium-1-yl]dodecyl-triphenyl-phosphonium Formula: C55H76NOP+2 MolecularWeight: 798.171801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCCCCCCCCC2=C[N+](=CC=C2)CCCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCCCCCCCCC2=C[N+](=CC=C2)CCCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C55H76NOP/c1(4-8-12-16-32-47-57-50-52-36-23-18-24-37-52)2-6-10-14-22-35-51-38-34-46-56(49-51)45-31-15-11-7-3-5-9-13-17-33-48-58(53-39-25-19-26-40-53,54-41-27-20-28-42-54)55-43-29-21-30-44-55/h18-21,23-30,34,36-44,46,49H,1-17,22,31-33,35,45,47-48,50H2/q+2