(5-bromanyl-4-chloranyl-1H-indol-3-yl) phosphate; [2-methyl-1,3-bis(oxidanyl)propan-2-yl]azanium

Systemtic Name: (5-bromanyl-4-chloranyl-1H-indol-3-yl) phosphate; [2-methyl-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: (5-bromo-4-chloro-1H-indol-3-yl) phosphate; [2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]ammonium CAS Name: (5-bromo-4-chloro-1H-indol-3-yl) phosphate; (1,3-dihydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) phosphate; (1,3-dihydroxy-2-methylpropan-2-yl)azanium Traditional Name: (5-bromo-4-chloro-1H-indol-3-yl) phosphate; (2-hydroxy-1-methyl-1-methylol-ethyl)ammonium Formula: C12H16BrClN2O6P- MolecularWeight: 430.596001

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)[NH3+].C1=CC(=C(C2=C1NC=C2OP(=O)([O-])[O-])Cl)Br

Isomeric SMILES

CC(CO)(CO)[NH3+].C1=CC(=C(C2=C1NC=C2OP(=O)([O-])[O-])Cl)Br

InChI

InChI=1S/C8H6BrClNO4P.C4H11NO2/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-4(5,2-6)3-7/h1-3,11H,(H2,12,13,14);6-7H,2-3,5H2,1H3/p-1