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

Systemtic Name: (3-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-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=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

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

InChI

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