ethyl 2-butyl-3-methyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-2-carboxylate

Systemtic Name: ethyl 2-butyl-3-methyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-2-carboxylate Openeye Name: ethyl 2-butyl-3-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate CAS Name: 2-butyl-3-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate Traditional Name: 2-butyl-3-methyl-1-oxido-1-pyrrolin-1-ium-2-carboxylic acid ethyl ester Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(CC=[N+]1[O-])C)C(=O)OCC

Isomeric SMILES

CCCCC1(C(CC=[N+]1[O-])C)C(=O)OCC

InChI

InChI=1S/C12H21NO3/c1-4-6-8-12(11(14)16-5-2)10(3)7-9-13(12)15/h9-10H,4-8H2,1-3H3