(4-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (4-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C38H51NO5P+ MolecularWeight: 632.789001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C38H50NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-31-42-35-26-28-36(29-27-35)43-45(40,41)44-38-25-18-16-22-34(38)32-39-30-20-23-33-21-15-17-24-37(33)39/h15-18,20-30H,2-14,19,31-32H2,1H3/p+1