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

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxy-2-methyl-phenoxy)-2-methoxy-propyl] [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C39H53NO7P+ MolecularWeight: 678.814381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)OC)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)OC)C

InChI

InChI=1S/C39H52NO7P/c1-4-5-6-7-8-9-10-11-12-17-28-44-37-25-18-26-38(32(37)2)45-30-35(43-3)31-46-48(41,42)47-39-24-16-14-21-34(39)29-40-27-19-22-33-20-13-15-23-36(33)40/h13-16,18-27,35H,4-12,17,28-31H2,1-3H3/p+1