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

Systemtic Name: methyl 3-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-2-carboxylate Openeye Name: methyl 3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C12H17N2O4S+ MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCOCC2

InChI

InChI=1S/C12H16N2O4S/c1-17-12(16)11-9(2-7-19-11)13-10(15)8-14-3-5-18-6-4-14/h2,7H,3-6,8H2,1H3,(H,13,15)/p+1