[3-(benzotriazol-1-ylmethoxy)-2-phenylmethoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-(benzotriazol-1-ylmethoxy)-2-phenylmethoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-(benzotriazol-1-ylmethoxy)-2-benzyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-benzotriazolylmethoxy)-2-phenylmethoxypropyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-(benzotriazol-1-ylmethoxy)-2-phenylmethoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-(benzotriazol-1-ylmethoxy)-2-benzoxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C22H31N4O6P MolecularWeight: 478.478501

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)([O-])OCC(COCN1C2=CC=CC=C2N=N1)OCC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C)CCOP(=O)([O-])OCC(COCN1C2=CC=CC=C2N=N1)OCC3=CC=CC=C3

InChI

InChI=1S/C22H31N4O6P/c1-26(2,3)13-14-31-33(27,28)32-17-20(30-15-19-9-5-4-6-10-19)16-29-18-25-22-12-8-7-11-21(22)23-24-25/h4-12,20H,13-18H2,1-3H3