7-(pyridin-1-ium-4-ylamino)heptanoate

Systemtic Name: 7-(pyridin-1-ium-4-ylamino)heptanoate Openeye Name: 7-(pyridin-1-ium-4-ylamino)heptanoate CAS Name: 7-(4-pyridin-1-iumylamino)heptanoate IUPAC Name: 7-(pyridin-1-ium-4-ylamino)heptanoate Traditional Name: 7-(pyridin-1-ium-4-ylamino)enanthate Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1NCCCCCCC(=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC=C1NCCCCCCC(=O)[O-]

InChI

InChI=1S/C12H18N2O2/c15-12(16)5-3-1-2-4-8-14-11-6-9-13-10-7-11/h6-7,9-10H,1-5,8H2,(H,13,14)(H,15,16)