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

Systemtic Name: ethyl 1,3,5-trimethyl-4-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC[NH+]2CCOCC2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC[NH+]2CCOCC2)C

InChI

InChI=1S/C17H27N3O4/c1-5-24-17(22)15-12(2)14(13(3)19(15)4)16(21)18-6-7-20-8-10-23-11-9-20/h5-11H2,1-4H3,(H,18,21)/p+1