ethyl butanoate; pyridin-1-ium; bromide

Systemtic Name: ethyl butanoate; pyridin-1-ium; bromide Openeye Name: ethyl butanoate; pyridin-1-ium; bromide CAS Name: butanoic acid ethyl ester; pyridin-1-ium; bromide IUPAC Name: ethyl butanoate; pyridin-1-ium; bromide Traditional Name: butyric acid ethyl ester; pyridin-1-ium; bromide Formula: C11H18BrNO2 MolecularWeight: 276.17012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC.C1=CC=[NH+]C=C1.[Br-]

Isomeric SMILES

CCCC(=O)OCC.C1=CC=[NH+]C=C1.[Br-]

InChI

InChI=1S/C6H12O2.C5H5N.BrH/c1-3-5-6(7)8-4-2;1-2-4-6-5-3-1;/h3-5H2,1-2H3;1-5H;1H