ethyl 2,4-dimethyl-5-[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(1-pyrrolidin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+]2CCCC2)C

InChI

InChI=1S/C16H24N2O3/c1-5-21-16(20)13-10(2)14(17-11(13)3)15(19)12(4)18-8-6-7-9-18/h12,17H,5-9H2,1-4H3/p+1/t12-/m0/s1