ethyl 2,4-dimethyl-5-(2-piperidin-1-ium-1-ylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(2-piperidin-1-ium-1-ylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(2-piperidin-1-ium-1-ylacetyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(2-piperidin-1-ium-1-ylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(2-piperidin-1-ium-1-ylacetyl)-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[NH+]2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+]2CCCCC2)C

InChI

InChI=1S/C16H24N2O3/c1-4-21-16(20)14-11(2)15(17-12(14)3)13(19)10-18-8-6-5-7-9-18/h17H,4-10H2,1-3H3/p+1