(5-bromanyl-6-chloranyl-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)azanium

Systemtic Name: (5-bromanyl-6-chloranyl-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)azanium Openeye Name: (5-bromo-6-chloro-1H-indol-3-yl) hydrogen phosphate; p-tolylammonium CAS Name: (5-bromo-6-chloro-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)ammonium IUPAC Name: (5-bromo-6-chloro-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)azanium Traditional Name: (5-bromo-6-chloro-1H-indol-3-yl) hydrogen phosphate; p-tolylammonium Formula: C15H15BrClN2O4P MolecularWeight: 433.621361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH3+].C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[NH3+].C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)[O-]

InChI

InChI=1S/C8H6BrClNO4P.C7H9N/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3