7-[(5-methylpyridin-1-ium-2-yl)amino]heptanoate

Systemtic Name: 7-[(5-methylpyridin-1-ium-2-yl)amino]heptanoate Openeye Name: 7-[(5-methylpyridin-1-ium-2-yl)amino]heptanoate CAS Name: 7-[(5-methyl-2-pyridin-1-iumyl)amino]heptanoate IUPAC Name: 7-[(5-methylpyridin-1-ium-2-yl)amino]heptanoate Traditional Name: 7-[(5-methylpyridin-1-ium-2-yl)amino]enanthate Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCCCCCCC(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCCCCCCC(=O)[O-]

InChI

InChI=1S/C13H20N2O2/c1-11-7-8-12(15-10-11)14-9-5-3-2-4-6-13(16)17/h7-8,10H,2-6,9H2,1H3,(H,14,15)(H,16,17)