ethyl 5-ethyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC[NH+]2CCOCC2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC[NH+]2CCOCC2)C(=O)OCC

InChI

InChI=1S/C16H24N2O4S/c1-3-12-11-13(16(20)22-4-2)15(23-12)17-14(19)5-6-18-7-9-21-10-8-18/h11H,3-10H2,1-2H3,(H,17,19)/p+1