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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-morpholin-4-ium-4-ylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-morpholin-4-ium-4-ylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-(4-morpholin-4-iumyl)-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-morpholin-4-ium-4-ylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-morpholin-4-ium-4-ylpropanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H25N2O4+ MolecularWeight: 309.3807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-5-22-16(20)13-10(2)14(17-11(13)3)15(19)12(4)18-6-8-21-9-7-18/h12,17H,5-9H2,1-4H3/p+1/t12-/m0/s1