2-[(5-methylpyridin-1-ium-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: 2-[(5-methylpyridin-1-ium-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: 2-[(5-methylpyridin-1-ium-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: 2-[[(5-methyl-2-pyridin-1-iumyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: 2-[(5-methylpyridin-1-ium-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: 2-[(5-methylpyridin-1-ium-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NC(=O)C2CCCCC2C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c1-9-6-7-12(15-8-9)16-13(17)10-4-2-3-5-11(10)14(18)19/h6-8,10-11H,2-5H2,1H3,(H,18,19)(H,15,16,17)