methyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate bromide

Systemtic Name: methyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate bromide Openeye Name: methyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate bromide CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid methyl ester bromide IUPAC Name: methyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate bromide Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid methyl ester bromide Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

InChI

InChI=1S/C16H14N2O2.BrH/c1-20-16(19)11-6-8-13(9-7-11)18-10-12-4-2-3-5-14(12)15(18)17;/h2-9,17H,10H2,1H3;1H