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

Systemtic Name: ethyl 7-oxidanylidene-2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-oxo-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-oxo-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-keto-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C18H25N2O4S+ MolecularWeight: 365.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H24N2O4S/c1-2-24-18(23)15-12-7-6-8-13(21)16(12)25-17(15)19-14(22)11-20-9-4-3-5-10-20/h2-11H2,1H3,(H,19,22)/p+1