ethyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H26N3O4+ MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC[NH+]2CCOCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC[NH+]2CCOCC2)C

InChI

InChI=1S/C16H25N3O4/c1-4-23-16(21)13-11(2)14(18-12(13)3)15(20)17-5-6-19-7-9-22-10-8-19/h18H,4-10H2,1-3H3,(H,17,20)/p+1