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

Systemtic Name: (2-chloranyl-4-hexadecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-chloro-4-hexadecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-chloro-4-hexadecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-chloro-4-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-chloro-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C38H50ClNO5P+ MolecularWeight: 667.234061

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C38H49ClNO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29-43-34-26-27-38(35(39)30-34)45-46(41,42)44-37-25-18-16-22-33(37)31-40-28-20-23-32-21-15-17-24-36(32)40/h15-18,20-28,30H,2-14,19,29,31H2,1H3/p+1