1-[2-(diethylazaniumyl)ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[2-(diethylazaniumyl)ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-[2-(diethylammonio)ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-(diethylammonio)ethyl]-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-[2-(diethylazaniumyl)ethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(diethylammonio)ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=CC(=C1C)C(=O)[O-])C

Isomeric SMILES

CC[NH+](CC)CCN1C(=CC(=C1C)C(=O)[O-])C

InChI

InChI=1S/C13H22N2O2/c1-5-14(6-2)7-8-15-10(3)9-12(11(15)4)13(16)17/h9H,5-8H2,1-4H3,(H,16,17)