2-bromanylquinolizin-5-ium-1-ol; (4-phenoxyphenyl)azanium; bromide

Systemtic Name: 2-bromanylquinolizin-5-ium-1-ol; (4-phenoxyphenyl)azanium; bromide Openeye Name: 2-bromoquinolizin-5-ium-1-ol; (4-phenoxyphenyl)ammonium; bromide CAS Name: 2-bromo-1-quinolizin-5-iumol; (4-phenoxyphenyl)ammonium; bromide IUPAC Name: 2-bromoquinolizin-5-ium-1-ol; (4-phenoxyphenyl)azanium; bromide Traditional Name: 2-bromoquinolizin-5-ium-1-ol; (4-phenoxyphenyl)ammonium; bromide Formula: C21H19Br2N2O2+ MolecularWeight: 491.19576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)[NH3+].C1=CC=[N+]2C=CC(=C(C2=C1)O)Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)[NH3+].C1=CC=[N+]2C=CC(=C(C2=C1)O)Br.[Br-]

InChI

InChI=1S/C12H11NO.C9H6BrNO.BrH/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;10-7-4-6-11-5-2-1-3-8(11)9(7)12;/h1-9H,13H2;1-6H;1H/p+1