4-[bis(3,7,11,15-tetramethylhexadecoxy)phosphorylmethyl]-1-methyl-pyridin-1-ium

Systemtic Name: 4-[bis(3,7,11,15-tetramethylhexadecoxy)phosphorylmethyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[bis(3,7,11,15-tetramethylhexadecoxy)phosphorylmethyl]-1-methyl-pyridin-1-ium CAS Name: 4-[bis(3,7,11,15-tetramethylhexadecoxy)phosphorylmethyl]-1-methylpyridin-1-ium IUPAC Name: 4-[bis(3,7,11,15-tetramethylhexadecoxy)phosphorylmethyl]-1-methylpyridin-1-ium Traditional Name: 4-[bis(3,7,11,15-tetramethylhexadecoxy)phosphorylmethyl]-1-methyl-pyridin-1-ium Formula: C47H91NO3P+ MolecularWeight: 749.204101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOP(=O)(CC1=CC=[N+](C=C1)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOP(=O)(CC1=CC=[N+](C=C1)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C47H91NO3P/c1-39(2)18-12-20-41(5)22-14-24-43(7)26-16-28-45(9)32-36-50-52(49,38-47-30-34-48(11)35-31-47)51-37-33-46(10)29-17-27-44(8)25-15-23-42(6)21-13-19-40(3)4/h30-31,34-35,39-46H,12-29,32-33,36-38H2,1-11H3/q+1