[2-methoxy-3-(5-tridecoxynaphthalen-1-yl)oxy-propyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [2-methoxy-3-(5-tridecoxynaphthalen-1-yl)oxy-propyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [2-methoxy-3-[(5-tridecoxy-1-naphthyl)oxy]propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [2-methoxy-3-[(5-tridecoxy-1-naphthalenyl)oxy]propyl] [2-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [2-methoxy-3-(5-tridecoxynaphthalen-1-yl)oxypropyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-methoxy-3-(5-tridecoxy-1-naphthoxy)propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C37H51NO7PS+ MolecularWeight: 684.842101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC2=C1C=CC=C2OCC(COP(=O)(O)OC3=CC=CC=C3C[N+]4=CSC=C4)OC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC2=C1C=CC=C2OCC(COP(=O)(O)OC3=CC=CC=C3C[N+]4=CSC=C4)OC

InChI

InChI=1S/C37H50NO7PS/c1-3-4-5-6-7-8-9-10-11-12-15-25-42-36-22-16-20-34-33(36)19-17-23-37(34)43-28-32(41-2)29-44-46(39,40)45-35-21-14-13-18-31(35)27-38-24-26-47-30-38/h13-14,16-24,26,30,32H,3-12,15,25,27-29H2,1-2H3/p+1