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

Systemtic Name: 2-bromanylquinolizin-5-ium-1-ol; (4-ethoxyphenyl)azanium; bromide Openeye Name: 2-bromoquinolizin-5-ium-1-ol; (4-ethoxyphenyl)ammonium; bromide CAS Name: 2-bromo-1-quinolizin-5-iumol; (4-ethoxyphenyl)ammonium; bromide IUPAC Name: 2-bromoquinolizin-5-ium-1-ol; (4-ethoxyphenyl)azanium; bromide Traditional Name: 2-bromoquinolizin-5-ium-1-ol; p-phenetylammonium; bromide Formula: C17H19Br2N2O2+ MolecularWeight: 443.15296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[NH3+].C1=CC=[N+]2C=CC(=C(C2=C1)O)Br.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[NH3+].C1=CC=[N+]2C=CC(=C(C2=C1)O)Br.[Br-]

InChI

InChI=1S/C9H6BrNO.C8H11NO.BrH/c10-7-4-6-11-5-2-1-3-8(11)9(7)12;1-2-10-8-5-3-7(9)4-6-8;/h1-6H;3-6H,2,9H2,1H3;1H/p+1