methyl 3-(3-azanyl-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylate bromide

Systemtic Name: methyl 3-(3-azanyl-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylate bromide Openeye Name: methyl 3-(3-amino-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylate bromide CAS Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-2-thiophenecarboxylic acid methyl ester bromide IUPAC Name: methyl 3-(3-amino-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylate bromide Traditional Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylic acid methyl ester bromide Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

InChI

InChI=1S/C14H12N2O2S.BrH/c1-18-14(17)12-11(6-7-19-12)16-8-9-4-2-3-5-10(9)13(16)15;/h2-7,15H,8H2,1H3;1H