octanoate; pyridin-1-ium

Systemtic Name: octanoate; pyridin-1-ium Openeye Name: octanoate; pyridin-1-ium CAS Name: octanoate; pyridin-1-ium IUPAC Name: octanoate; pyridin-1-ium Traditional Name: caprylate; pyridin-1-ium Formula: C13H21NO2 MolecularWeight: 223.31134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C5H5N/c1-2-3-4-5-6-7-8(9)10;1-2-4-6-5-3-1/h2-7H2,1H3,(H,9,10);1-5H