quinolin-1-ium-8-yl 3-bromanylbenzoate

Systemtic Name: quinolin-1-ium-8-yl 3-bromanylbenzoate Openeye Name: quinolin-1-ium-8-yl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 8-quinolin-1-iumyl ester IUPAC Name: quinolin-1-ium-8-yl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid quinolin-1-ium-8-yl ester Formula: C16H11BrNO2+ MolecularWeight: 329.16804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)C3=CC(=CC=C3)Br)[NH+]=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C3=CC(=CC=C3)Br)[NH+]=CC=C2

InChI

InChI=1S/C16H10BrNO2/c17-13-7-1-5-12(10-13)16(19)20-14-8-2-4-11-6-3-9-18-15(11)14/h1-10H/p+1