[3-[2-[dimethyl-(phenylmethyl)azaniumyl]ethyl]-1H-indol-4-yl] (phenylmethyl) phosphate

Systemtic Name: [3-[2-[dimethyl-(phenylmethyl)azaniumyl]ethyl]-1H-indol-4-yl] (phenylmethyl) phosphate Openeye Name: benzyl [3-[2-[benzyl(dimethyl)ammonio]ethyl]-1H-indol-4-yl] phosphate CAS Name: [3-[2-[dimethyl-(phenylmethyl)ammonio]ethyl]-1H-indol-4-yl] (phenylmethyl) phosphate IUPAC Name: benzyl [3-[2-[benzyl(dimethyl)azaniumyl]ethyl]-1H-indol-4-yl] phosphate Traditional Name: benzyl [3-[2-[benzyl(dimethyl)ammonio]ethyl]-1H-indol-4-yl] phosphate Formula: C26H29N2O4P MolecularWeight: 464.493221

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CNC2=C1C(=CC=C2)OP(=O)([O-])OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+](C)(CCC1=CNC2=C1C(=CC=C2)OP(=O)([O-])OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N2O4P/c1-28(2,19-21-10-5-3-6-11-21)17-16-23-18-27-24-14-9-15-25(26(23)24)32-33(29,30)31-20-22-12-7-4-8-13-22/h3-15,18,27H,16-17,19-20H2,1-2H3