ethyl 7-(oxidanylamino)-2-(2-piperidin-1-ium-1-ylethanoylimino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 7-(oxidanylamino)-2-(2-piperidin-1-ium-1-ylethanoylimino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-(hydroxyamino)-2-(2-piperidin-1-ium-1-ylacetyl)imino-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-(hydroxyamino)-2-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]imino-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(hydroxyamino)-2-(2-piperidin-1-ium-1-ylacetyl)imino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-(hydroxyamino)-2-(2-piperidin-1-ium-1-ylacetyl)imino-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C[NH+]3CCCCC3)NO

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C[NH+]3CCCCC3)NO

InChI

InChI=1S/C18H25N3O4S/c1-2-25-18(23)15-12-7-6-8-13(20-24)16(12)26-17(15)19-14(22)11-21-9-4-3-5-10-21/h20,24H,2-11H2,1H3/p+1