5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate

Systemtic Name: 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate Openeye Name: 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolecarboxylate IUPAC Name: 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate Traditional Name: 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate Formula: C17H28N2O3 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC[NH+]2CCOCC2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CCC[NH+]2CCOCC2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C17H28N2O3/c1-13-14(16(20)21)12-15(17(2,3)4)19(13)7-5-6-18-8-10-22-11-9-18/h12H,5-11H2,1-4H3,(H,20,21)