(3-hexadecoxy-2-methoxy-propyl) [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-[(3-methyl-1-pyridin-1-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate Formula: C33H55NO6P+ MolecularWeight: 592.766661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CC=CC(=C2)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CC=CC(=C2)C)OC

InChI

InChI=1S/C33H54NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-38-28-33(37-3)29-39-41(35,36)40-32-22-18-21-31(25-32)27-34-23-19-20-30(2)26-34/h18-23,25-26,33H,4-17,24,27-29H2,1-3H3/p+1