3-[2-(diethylazaniumyl)ethyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: 3-[2-(diethylazaniumyl)ethyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: 3-[2-(diethylammonio)ethyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 3-[2-(diethylammonio)ethyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylate IUPAC Name: 3-[2-(diethylazaniumyl)ethyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-carbethoxy-3-[2-(diethylammonio)ethyl]-4-methyl-1H-pyrrole-2-carboxylate Formula: C15H24N2O4 MolecularWeight: 296.36206

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1=C(NC(=C1C)C(=O)OCC)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC1=C(NC(=C1C)C(=O)OCC)C(=O)[O-]

InChI

InChI=1S/C15H24N2O4/c1-5-17(6-2)9-8-11-10(4)12(15(20)21-7-3)16-13(11)14(18)19/h16H,5-9H2,1-4H3,(H,18,19)