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

Systemtic Name: 6-[(4,6-dimethylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: 6-[(4,6-dimethylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[(4,6-dimethyl-2-pyridin-1-iumyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[(4,6-dimethylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[(4,6-dimethylpyridin-1-ium-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-9-7-10(2)16-13(8-9)17-14(18)11-5-3-4-6-12(11)15(19)20/h3-4,7-8,11-12H,5-6H2,1-2H3,(H,19,20)(H,16,17,18)