1-[3-(dimethylazaniumyl)propyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[3-(dimethylazaniumyl)propyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-[3-(dimethylammonio)propyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[3-(dimethylammonio)propyl]-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-[3-(dimethylazaniumyl)propyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[3-(dimethylammonio)propyl]-2,5-dimethyl-pyrrole-3-carboxylate Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC[NH+](C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC[NH+](C)C)C)C(=O)[O-]

InChI

InChI=1S/C12H20N2O2/c1-9-8-11(12(15)16)10(2)14(9)7-5-6-13(3)4/h8H,5-7H2,1-4H3,(H,15,16)