ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-4-22-16(21)13-11(2)14(18-12(13)3)15(20)17-7-10-19-8-5-6-9-19/h18H,4-10H2,1-3H3,(H,17,20)/p+1