ethyl 2-azanyl-4-pyridin-1-ium-4-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-pyridin-1-ium-4-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-pyridin-1-ium-4-yl-thiophene-3-carboxylate CAS Name: 2-amino-4-(4-pyridin-1-iumyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-pyridin-1-ium-4-ylthiophene-3-carboxylate Traditional Name: 2-amino-4-pyridin-1-ium-4-yl-thiophene-3-carboxylic acid ethyl ester Formula: C12H13N2O2S+ MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=[NH+]C=C2)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=[NH+]C=C2)N

InChI

InChI=1S/C12H12N2O2S/c1-2-16-12(15)10-9(7-17-11(10)13)8-3-5-14-6-4-8/h3-7H,2,13H2,1H3/p+1