5-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(4,6-dimethyl-2-pyridin-1-iumyl)amino]-5-oxopentanoate IUPAC Name: 5-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-5-oxopentanoate Traditional Name: 5-[(4,6-dimethylpyridin-1-ium-2-yl)amino]-5-keto-valerate Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)NC(=O)CCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)NC(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C12H16N2O3/c1-8-6-9(2)13-10(7-8)14-11(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)