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

Systemtic Name: quinolin-1-ium-8-yl 3-bromanylbenzoate chloride Openeye Name: quinolin-1-ium-8-yl 3-bromobenzoate chloride CAS Name: 3-bromobenzoic acid 8-quinolin-1-iumyl ester chloride IUPAC Name: quinolin-1-ium-8-yl 3-bromobenzoate chloride Traditional Name: 3-bromobenzoic acid quinolin-1-ium-8-yl ester chloride Formula: C16H11BrClNO2 MolecularWeight: 364.62104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrNO2.ClH/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;1H