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

Systemtic Name: methyl 3-(3-azanyl-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylate Openeye Name: methyl 3-(3-amino-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylate CAS Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-amino-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylate Traditional Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)thiophene-2-carboxylic acid methyl ester Formula: C14H13N2O2S+ MolecularWeight: 273.33022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O2S/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/p+1