ethyl 5-azanyl-4-cyano-3-(morpholin-4-ium-4-ylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(morpholin-4-ium-4-ylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(morpholin-4-ium-4-ylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-(4-morpholin-4-iumylmethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(morpholin-4-ium-4-ylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(morpholin-4-ium-4-ylmethyl)thiophene-2-carboxylic acid ethyl ester Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCOCC2

InChI

InChI=1S/C13H17N3O3S/c1-2-19-13(17)11-10(9(7-14)12(15)20-11)8-16-3-5-18-6-4-16/h2-6,8,15H2,1H3/p+1