pentyl propanoate; pyridin-1-ium; bromide

Systemtic Name: pentyl propanoate; pyridin-1-ium; bromide Openeye Name: pentyl propanoate; pyridin-1-ium; bromide CAS Name: propanoic acid pentyl ester; pyridin-1-ium; bromide IUPAC Name: pentyl propanoate; pyridin-1-ium; bromide Traditional Name: propionic acid amyl ester; pyridin-1-ium; bromide Formula: C13H22BrNO2 MolecularWeight: 304.22328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C5H5N.BrH/c1-3-5-6-7-10-8(9)4-2;1-2-4-6-5-3-1;/h3-7H2,1-2H3;1-5H;1H