(5-bromanyl-4-chloranyl-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)azanium; 2H-1,2,3,4-tetrazol-1-ium

Systemtic Name: (5-bromanyl-4-chloranyl-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)azanium; 2H-1,2,3,4-tetrazol-1-ium Openeye Name: (5-bromo-4-chloro-1H-indol-3-yl) hydrogen phosphate; p-tolylammonium; 2H-tetrazol-1-ium CAS Name: (5-bromo-4-chloro-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)ammonium; 2H-tetrazol-1-ium IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) hydrogen phosphate; (4-methylphenyl)azanium; 2H-tetrazol-1-ium Traditional Name: (5-bromo-4-chloro-1H-indol-3-yl) hydrogen phosphate; p-tolylammonium; 2H-tetrazol-1-ium Formula: C16H18BrClN6O4P+ MolecularWeight: 504.682681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH3+].C1=CC(=C(C2=C1NC=C2OP(=O)(O)[O-])Cl)Br.C1=[NH+]NN=N1

Isomeric SMILES

CC1=CC=C(C=C1)[NH3+].C1=CC(=C(C2=C1NC=C2OP(=O)(O)[O-])Cl)Br.C1=[NH+]NN=N1

InChI

InChI=1S/C8H6BrClNO4P.C7H9N.CH2N4/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6;1-2-4-5-3-1/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3;1H,(H,2,3,4,5)/p+1