(5-bromanyl-1H-indol-3-yl) phosphate; (4-methylphenyl)azanium

Systemtic Name: (5-bromanyl-1H-indol-3-yl) phosphate; (4-methylphenyl)azanium Openeye Name: (5-bromo-1H-indol-3-yl) phosphate; p-tolylammonium CAS Name: (5-bromo-1H-indol-3-yl) phosphate; (4-methylphenyl)ammonium IUPAC Name: (5-bromo-1H-indol-3-yl) phosphate; (4-methylphenyl)azanium Traditional Name: (5-bromo-1H-indol-3-yl) phosphate; p-tolylammonium Formula: C22H25BrN3O4P MolecularWeight: 506.329361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH3+].CC1=CC=C(C=C1)[NH3+].C1=CC2=C(C=C1Br)C(=CN2)OP(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[NH3+].CC1=CC=C(C=C1)[NH3+].C1=CC2=C(C=C1Br)C(=CN2)OP(=O)([O-])[O-]

InChI

InChI=1S/C8H7BrNO4P.2C7H9N/c9-5-1-2-7-6(3-5)8(4-10-7)14-15(11,12)13;2*1-6-2-4-7(8)5-3-6/h1-4,10H,(H2,11,12,13);2*2-5H,8H2,1H3