methyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylacetyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(2-morpholin-4-ium-4-ylacetyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H21N2O4+ MolecularWeight: 281.32754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCOCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCOCC2

InChI

InChI=1S/C14H20N2O4/c1-9-12(14(18)19-3)10(2)15-13(9)11(17)8-16-4-6-20-7-5-16/h15H,4-8H2,1-3H3/p+1