2-[1-butyl-1-(iminomethyl)pyrrol-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-butyl-1-(iminomethyl)pyrrol-1-ium-2-yl]ethanoate Openeye Name: 2-(1-butyl-1-methanimidoyl-pyrrol-1-ium-2-yl)acetate CAS Name: 2-(1-butyl-1-methanimidoyl-2-pyrrol-1-iumyl)acetate IUPAC Name: 2-(1-butyl-1-methanimidoylpyrrol-1-ium-2-yl)acetate Traditional Name: 2-(1-butyl-1-formimidoyl-pyrrol-1-ium-2-yl)acetate Formula: C11H16N2O2 MolecularWeight: 208.25694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=CC=C1CC(=O)[O-])C=N

Isomeric SMILES

CCCC[N+]1(C=CC=C1CC(=O)[O-])C=N

InChI

InChI=1S/C11H16N2O2/c1-2-3-6-13(9-12)7-4-5-10(13)8-11(14)15/h4-5,7,9,12H,2-3,6,8H2,1H3