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

Systemtic Name: methyl 5-ethyl-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-3-10-8-11(14(18)19-2)13(21-10)15-12(17)9-16-4-6-20-7-5-16/h8H,3-7,9H2,1-2H3,(H,15,17)/p+1