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

Systemtic Name: ethyl 2-azanyl-5-(dimethylcarbamoyl)-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylate CAS Name: 2-amino-5-[dimethylamino(oxo)methyl]-4-(4-morpholin-4-iumylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylate Traditional Name: 2-amino-5-(dimethylcarbamoyl)-4-(morpholin-4-ium-4-ylmethyl)thiophene-3-carboxylic acid ethyl ester Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+]2CCOCC2)C(=O)N(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+]2CCOCC2)C(=O)N(C)C)N

InChI

InChI=1S/C15H23N3O4S/c1-4-22-15(20)11-10(9-18-5-7-21-8-6-18)12(23-13(11)16)14(19)17(2)3/h4-9,16H2,1-3H3/p+1