ethyl 5-azanyl-4-cyano-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CC(OC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2C[C@@H](O[C@H](C2)C)C

InChI

InChI=1S/C15H21N3O3S/c1-4-20-15(19)13-12(11(5-16)14(17)22-13)8-18-6-9(2)21-10(3)7-18/h9-10H,4,6-8,17H2,1-3H3/p+1/t9-,10-/m0/s1