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

Systemtic Name: (2-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-hexadecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-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=CC=C1OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

InChI

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