[2-hexadecoxy-6-(3-methyl-1H-imidazol-3-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate

Systemtic Name: [2-hexadecoxy-6-(3-methyl-1H-imidazol-3-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate Openeye Name: [2-hexadecoxy-6-(3-methyl-1H-imidazol-3-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate CAS Name: [2-hexadecoxy-6-(3-methyl-1H-imidazol-3-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate IUPAC Name: [2-hexadecoxy-6-(3-methyl-1H-imidazol-3-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate Traditional Name: [2-cetyloxy-6-(3-methyl-1H-imidazol-3-ium-2-yl)phenyl] 2-methoxypropyl hydrogen phosphate Formula: C30H52N2O6P+ MolecularWeight: 567.717441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1OP(=O)(O)OCC(C)OC)C2=[N+](C=CN2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1OP(=O)(O)OCC(C)OC)C2=[N+](C=CN2)C

InChI

InChI=1S/C30H51N2O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-36-28-21-19-20-27(30-31-22-23-32(30)3)29(28)38-39(33,34)37-25-26(2)35-4/h19-23,26H,5-18,24-25H2,1-4H3,(H,33,34)/p+1