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

Systemtic Name: (3-chloranyl-2-hexadecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-2-hexadecoxy-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-chloro-2-hexadecoxyphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-2-hexadecoxyphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-cetyloxy-3-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=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43

InChI

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