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

Systemtic Name: (3-dodecoxy-2-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-methoxyphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-methoxyphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C35H45NO6P+ MolecularWeight: 606.708661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C35H44NO6P/c1-3-4-5-6-7-8-9-10-11-14-26-40-33-23-16-24-34(35(33)39-2)42-43(37,38)41-31-21-15-18-29(27-31)28-36-25-17-20-30-19-12-13-22-32(30)36/h12-13,15-25,27H,3-11,14,26,28H2,1-2H3/p+1