6-[(4-methylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: 6-[(4-methylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: 6-[(4-methylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[(4-methyl-2-pyridin-1-iumyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[(4-methylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[(4-methylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)C2CC=CCC2C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-9-6-7-15-12(8-9)16-13(17)10-4-2-3-5-11(10)14(18)19/h2-3,6-8,10-11H,4-5H2,1H3,(H,18,19)(H,15,16,17)